formula
stringlengths
5
18
n_sites
float64
2
100
volume
float64
12.5
3.74k
uncorrected_energy
float64
-676.79
-1.14
e_form_per_atom_wbm
float64
-4.58
4.74
e_above_hull_wbm
float64
-4.52
5.42
bandgap_pbe
float64
0
8.07
wyckoff_spglib_initial_structure
stringlengths
17
43
uncorrected_energy_from_cse
float64
-676.79
-1.14
e_correction_per_atom_mp2020
float64
-1.94
0.06
e_correction_per_atom_mp_legacy
float64
-2.06
0
e_form_per_atom_uncorrected
float64
-4.25
4.74
e_form_per_atom_mp2020_corrected
float64
-4.56
4.74
e_above_hull_mp2020_corrected_ppd_mp
float64
-2.73
6.48
site_stats_fingerprint_init_final_norm_diff
float64
0
4.06
wyckoff_spglib
stringlengths
17
43
unique_prototype
bool
2 classes
formula_from_cse
stringlengths
5
18
initial_structure
dict
id
stringlengths
7
11
material_id
stringlengths
7
11
frac_pos
sequencelengths
2
100
cart_pos
sequencelengths
2
100
pos
sequencelengths
2
100
cell
sequencelengths
3
3
num_atoms
int64
2
100
atomic_numbers
sequencelengths
2
100
composition
sequencelengths
120
120
Ag6 Dy2
8
167.04
-27.929
-0.218
0.05
0
A3B_hP8_194_h_c:Ag-Dy
-27.928848
0
0
-0.214956
-0.214956
0.053648
1.395031
A3B_hP8_194_h_c:Ag-Dy
true
Ag6 Dy2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.86305275, "alpha": 119.86907018, "b": 6.95412046, "beta": 89.99997422, "c": 6.98190566, "gamma": 90.00000432, "matrix": [ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ], "volume": 204.7515826446 }, "sites": [ { "abc": [ 0.250001, 0.6671400000000001, 0.334277 ], "label": "Dy", "species": [ { "element": "Dy", "occu": 1 } ], "xyz": [ 1.2157687404, 4.0231042938, 0.023392445600000002 ] }, { "abc": [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], "label": "Dy", "species": [ { "element": "Dy", "occu": 1 } ], "xyz": [ 3.6472947697, 2.0072705808, 3.4952194861 ] }, { "abc": [ 0.75, 0.8587859999999999, 0.14060699999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472904505, 5.1788015171, -1.9925176007 ] }, { "abc": [ 0.75, 0.28182199999999996, 0.14060499999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472898539000003, 1.6994923079, 0.0056614723 ] }, { "abc": [ 0.75, 0.8592989999999999, 0.718602 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.647290451, 5.1818950994, 2.041212294 ] }, { "abc": [ 0.249999, 0.141215, 0.859394 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584705, 0.8515793879, 5.5111400329 ] }, { "abc": [ 0.249999, 0.718178, 0.8593959999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.215759067, 4.3308825667, 3.5129644232 ] }, { "abc": [ 0.249999, 0.14070000000000002, 0.281397 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584699, 0.8484737449, 1.4774031009000002 ] } ] }
wbm-1-101
wbm-1-101
[ [ 0.250001, 0.6671400000000001, 0.334277 ], [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], [ 0.75, 0.8587859999999999, 0.14060699999999998 ], [ 0.75, 0.28182199999999996, 0.14060499999999998 ], [ 0.75, 0.8592989999999999, 0.718602 ], [ 0.249999, 0.141215, 0.859394 ], [ 0.249999, 0.718178, 0.8593959999999999 ], [ 0.249999, 0.14070000000000002, 0.281397 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ]
8
[ 66, 66, 47, 47, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag6 Er2
8
163.75
-27.873
-0.221
0.05
0
A3B_hP8_194_h_c:Ag-Er
-27.872658
0
0
-0.217707
-0.217707
0.04619
1.536644
A3B_hP8_194_h_c:Ag-Er
false
Ag6 Er2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.86305275, "alpha": 119.86907018, "b": 6.95412046, "beta": 89.99997422, "c": 6.98190566, "gamma": 90.00000432, "matrix": [ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ], "volume": 204.7515826446 }, "sites": [ { "abc": [ 0.250001, 0.6671400000000001, 0.334277 ], "label": "Er", "species": [ { "element": "Er", "occu": 1 } ], "xyz": [ 1.2157687404, 4.0231042938, 0.023392445600000002 ] }, { "abc": [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], "label": "Er", "species": [ { "element": "Er", "occu": 1 } ], "xyz": [ 3.6472947697, 2.0072705808, 3.4952194861 ] }, { "abc": [ 0.75, 0.8587859999999999, 0.14060699999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472904505, 5.1788015171, -1.9925176007 ] }, { "abc": [ 0.75, 0.28182199999999996, 0.14060499999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472898539000003, 1.6994923079, 0.0056614723 ] }, { "abc": [ 0.75, 0.8592989999999999, 0.718602 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.647290451, 5.1818950994, 2.041212294 ] }, { "abc": [ 0.249999, 0.141215, 0.859394 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584705, 0.8515793879, 5.5111400329 ] }, { "abc": [ 0.249999, 0.718178, 0.8593959999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.215759067, 4.3308825667, 3.5129644232 ] }, { "abc": [ 0.249999, 0.14070000000000002, 0.281397 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584699, 0.8484737449, 1.4774031009000002 ] } ] }
wbm-1-102
wbm-1-102
[ [ 0.250001, 0.6671400000000001, 0.334277 ], [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], [ 0.75, 0.8587859999999999, 0.14060699999999998 ], [ 0.75, 0.28182199999999996, 0.14060499999999998 ], [ 0.75, 0.8592989999999999, 0.718602 ], [ 0.249999, 0.141215, 0.859394 ], [ 0.249999, 0.718178, 0.8593959999999999 ], [ 0.249999, 0.14070000000000002, 0.281397 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ]
8
[ 68, 68, 47, 47, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag6 Eu2
8
185.69
-38.956
-0.175
0.067
0
A3B_hP8_194_h_c:Ag-Eu
-38.956012
0
0
-0.180802
-0.180802
0.061782
0.584692
A3B_oC16_63_cg_c:Ag-Eu
true
Ag6 Eu2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.86305275, "alpha": 119.86907018, "b": 6.95412046, "beta": 89.99997422, "c": 6.98190566, "gamma": 90.00000432, "matrix": [ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ], "volume": 204.7515826446 }, "sites": [ { "abc": [ 0.250001, 0.6671400000000001, 0.334277 ], "label": "Eu", "species": [ { "element": "Eu", "occu": 1 } ], "xyz": [ 1.2157687404, 4.0231042938, 0.023392445600000002 ] }, { "abc": [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], "label": "Eu", "species": [ { "element": "Eu", "occu": 1 } ], "xyz": [ 3.6472947697, 2.0072705808, 3.4952194861 ] }, { "abc": [ 0.75, 0.8587859999999999, 0.14060699999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472904505, 5.1788015171, -1.9925176007 ] }, { "abc": [ 0.75, 0.28182199999999996, 0.14060499999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472898539000003, 1.6994923079, 0.0056614723 ] }, { "abc": [ 0.75, 0.8592989999999999, 0.718602 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.647290451, 5.1818950994, 2.041212294 ] }, { "abc": [ 0.249999, 0.141215, 0.859394 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584705, 0.8515793879, 5.5111400329 ] }, { "abc": [ 0.249999, 0.718178, 0.8593959999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.215759067, 4.3308825667, 3.5129644232 ] }, { "abc": [ 0.249999, 0.14070000000000002, 0.281397 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584699, 0.8484737449, 1.4774031009000002 ] } ] }
wbm-1-103
wbm-1-103
[ [ 0.250001, 0.6671400000000001, 0.334277 ], [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], [ 0.75, 0.8587859999999999, 0.14060699999999998 ], [ 0.75, 0.28182199999999996, 0.14060499999999998 ], [ 0.75, 0.8592989999999999, 0.718602 ], [ 0.249999, 0.141215, 0.859394 ], [ 0.249999, 0.718178, 0.8593959999999999 ], [ 0.249999, 0.14070000000000002, 0.281397 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ]
8
[ 63, 63, 47, 47, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag6 Gd2
8
171.26
-46.767
-0.204
0.031
0
A3B_hP8_194_h_c:Ag-Gd
-46.767039
0
0
-0.202405
-0.202405
0.015085
1.147591
A3B_mP8_11_3e_e:Ag-Gd
true
Ag6 Gd2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.86305275, "alpha": 119.86907018, "b": 6.95412046, "beta": 89.99997422, "c": 6.98190566, "gamma": 90.00000432, "matrix": [ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ], "volume": 204.7515826446 }, "sites": [ { "abc": [ 0.250001, 0.6671400000000001, 0.334277 ], "label": "Gd", "species": [ { "element": "Gd", "occu": 1 } ], "xyz": [ 1.2157687404, 4.0231042938, 0.023392445600000002 ] }, { "abc": [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], "label": "Gd", "species": [ { "element": "Gd", "occu": 1 } ], "xyz": [ 3.6472947697, 2.0072705808, 3.4952194861 ] }, { "abc": [ 0.75, 0.8587859999999999, 0.14060699999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472904505, 5.1788015171, -1.9925176007 ] }, { "abc": [ 0.75, 0.28182199999999996, 0.14060499999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472898539000003, 1.6994923079, 0.0056614723 ] }, { "abc": [ 0.75, 0.8592989999999999, 0.718602 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.647290451, 5.1818950994, 2.041212294 ] }, { "abc": [ 0.249999, 0.141215, 0.859394 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584705, 0.8515793879, 5.5111400329 ] }, { "abc": [ 0.249999, 0.718178, 0.8593959999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.215759067, 4.3308825667, 3.5129644232 ] }, { "abc": [ 0.249999, 0.14070000000000002, 0.281397 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584699, 0.8484737449, 1.4774031009000002 ] } ] }
wbm-1-104
wbm-1-104
[ [ 0.250001, 0.6671400000000001, 0.334277 ], [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], [ 0.75, 0.8587859999999999, 0.14060699999999998 ], [ 0.75, 0.28182199999999996, 0.14060499999999998 ], [ 0.75, 0.8592989999999999, 0.718602 ], [ 0.249999, 0.141215, 0.859394 ], [ 0.249999, 0.718178, 0.8593959999999999 ], [ 0.249999, 0.14070000000000002, 0.281397 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ]
8
[ 64, 64, 47, 47, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag6 Hg2
8
150.78
-17.461
0.015
0.015
0
A3B_hP8_194_h_c:Ag-Hg
-17.460693
0
0
0.017788
0.017788
0.01775
0.050018
A3B_hP8_194_h_c:Ag-Hg
false
Ag6 Hg2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.87952111, "alpha": 59.99999971, "b": 5.94963073, "beta": 90, "c": 5.9496318200000005, "gamma": 90, "matrix": [ [ 4.87952111, 0, 2.987844954e-16 ], [ -3.155015507e-16, 5.1525313403, 2.9748153911 ], [ 0, 0, 5.9496318200000005 ] ], "volume": 149.5849616568 }, "sites": [ { "abc": [ 0.75, 0.6689229999999999, 0.165539 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6596408325, 3.4466467217, 2.9748185377 ] }, { "abc": [ 0.75, 0.165539, 0.165538 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6596408325, 0.8529448855, 1.4773381172 ] }, { "abc": [ 0.75, 0.165539, 0.668922 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6596408325, 0.8529448855, 4.4722875813 ] }, { "abc": [ 0.249999, 0.331077, 0.8344619999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.219875398, 1.7058846185, 5.949634623 ] }, { "abc": [ 0.249999, 0.8344619999999999, 0.834461 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.219875398, 4.2995916073, 7.447106119 ] }, { "abc": [ 0.249999, 0.8344619999999999, 0.331077 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.219875398, 4.2995916073, 4.4521566549 ] }, { "abc": [ 0.249999, 0.33333333330000003, 0.33333333330000003 ], "label": "Hg", "species": [ { "element": "Hg", "occu": 1 } ], "xyz": [ 1.219875398, 1.7175104468, 2.974815737 ] }, { "abc": [ 0.75, 0.6666666667000001, 0.6666666667000001 ], "label": "Hg", "species": [ { "element": "Hg", "occu": 1 } ], "xyz": [ 3.6596408325, 3.4350208935, 5.9496314741 ] } ] }
wbm-1-105
wbm-1-105
[ [ 0.75, 0.6689229999999999, 0.165539 ], [ 0.75, 0.165539, 0.165538 ], [ 0.75, 0.165539, 0.668922 ], [ 0.249999, 0.331077, 0.8344619999999999 ], [ 0.249999, 0.8344619999999999, 0.834461 ], [ 0.249999, 0.8344619999999999, 0.331077 ], [ 0.249999, 0.33333333330000003, 0.33333333330000003 ], [ 0.75, 0.6666666667000001, 0.6666666667000001 ] ]
[ [ 3.6596408325, 3.4466467217474968, 2.9748185377117653 ], [ 3.6596408325, 0.8529448855419217, 1.477338117246463 ], [ 3.6596408325, 0.8529448855419217, 4.472287581325343 ], [ 1.2198753979788899, 1.7058846185525032, 5.949634623020055 ], [ 1.2198753979788897, 4.299591607289418, 7.447106119037109 ], [ 1.2198753979788897, 4.299591607289418, 4.4521566549582285 ], [ 1.2198753979788899, 1.717510446594916, 2.9748157367358523 ], [ 3.6596408325, 3.4350208937050852, 5.949631474364149 ] ]
[ [ 3.6596408325, 3.4466467217474968, 2.9748185377117653 ], [ 3.6596408325, 0.8529448855419217, 1.477338117246463 ], [ 3.6596408325, 0.8529448855419217, 4.472287581325343 ], [ 1.2198753979788899, 1.7058846185525032, 5.949634623020055 ], [ 1.2198753979788897, 4.299591607289418, 7.447106119037109 ], [ 1.2198753979788897, 4.299591607289418, 4.4521566549582285 ], [ 1.2198753979788899, 1.717510446594916, 2.9748157367358523 ], [ 3.6596408325, 3.4350208937050852, 5.949631474364149 ] ]
[ [ 4.87952111, 0, 2.987844954e-16 ], [ -3.155015507e-16, 5.1525313403, 2.9748153911 ], [ 0, 0, 5.9496318200000005 ] ]
8
[ 47, 47, 47, 47, 47, 47, 80, 80 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag6 Ho2
8
165.36
-27.888
-0.22
0.049
0
A3B_hP8_194_h_c:Ag-Ho
-27.888176
0
0
-0.215972
-0.215972
0.051441
1.468738
A3B_hP8_194_h_c:Ag-Ho
true
Ag6 Ho2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.86305275, "alpha": 119.86907018, "b": 6.95412046, "beta": 89.99997422, "c": 6.98190566, "gamma": 90.00000432, "matrix": [ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ], "volume": 204.7515826446 }, "sites": [ { "abc": [ 0.250001, 0.6671400000000001, 0.334277 ], "label": "Ho", "species": [ { "element": "Ho", "occu": 1 } ], "xyz": [ 1.2157687404, 4.0231042938, 0.023392445600000002 ] }, { "abc": [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], "label": "Ho", "species": [ { "element": "Ho", "occu": 1 } ], "xyz": [ 3.6472947697, 2.0072705808, 3.4952194861 ] }, { "abc": [ 0.75, 0.8587859999999999, 0.14060699999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472904505, 5.1788015171, -1.9925176007 ] }, { "abc": [ 0.75, 0.28182199999999996, 0.14060499999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472898539000003, 1.6994923079, 0.0056614723 ] }, { "abc": [ 0.75, 0.8592989999999999, 0.718602 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.647290451, 5.1818950994, 2.041212294 ] }, { "abc": [ 0.249999, 0.141215, 0.859394 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584705, 0.8515793879, 5.5111400329 ] }, { "abc": [ 0.249999, 0.718178, 0.8593959999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.215759067, 4.3308825667, 3.5129644232 ] }, { "abc": [ 0.249999, 0.14070000000000002, 0.281397 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584699, 0.8484737449, 1.4774031009000002 ] } ] }
wbm-1-106
wbm-1-106
[ [ 0.250001, 0.6671400000000001, 0.334277 ], [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], [ 0.75, 0.8587859999999999, 0.14060699999999998 ], [ 0.75, 0.28182199999999996, 0.14060499999999998 ], [ 0.75, 0.8592989999999999, 0.718602 ], [ 0.249999, 0.141215, 0.859394 ], [ 0.249999, 0.718178, 0.8593959999999999 ], [ 0.249999, 0.14070000000000002, 0.281397 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ]
8
[ 67, 67, 47, 47, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag3 In2 La1
6
140.81
-20.12
-0.201
0.08
0
A3B2C_hP6_191_g_c_a:Ag-In-La
-20.119915
0
0
-0.197119
-0.197119
0.084542
0.345846
A3B2C_hP6_191_g_c_a:Ag-In-La
true
Ag3 In2 La1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.26529916, "alpha": 119.99999999, "b": 5.8082091, "beta": 90, "c": 5.8082091, "gamma": 90, "matrix": [ [ 4.26529916, 0, 2.611742482e-16 ], [ 8.088947998e-16, 5.0300566316, -2.9041045491 ], [ 0, 0, 5.8082091 ] ], "volume": 124.6133624356 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0, 0.6666666667000001, 0.33333333330000003 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 5.392631999e-16, 3.3533710877000003, 6e-10 ] }, { "abc": [ 0, 0.33333333330000003, 0.6666666667000001 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 2.696315999e-16, 1.6766855439000001, 2.9041045503 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.13264958, 2.5150283158, 1.4520522754 ] }, { "abc": [ 0.5, 0.5, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.13264958, 2.5150283158, -1.4520522746 ] }, { "abc": [ 0.5, 0, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.13264958, 0, 2.90410455 ] } ] }
wbm-1-107
wbm-1-107
[ [ 0, 0, 0 ], [ 0, 0.6666666667000001, 0.33333333330000003 ], [ 0, 0.33333333330000003, 0.6666666667000001 ], [ 0.5, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ] ]
[ [ 0, 0, 0 ], [ 5.392631998936299e-16, 3.353371087901002, 3.0958968721961355e-10 ], [ 2.696315999063702e-16, 1.6766855436989982, 2.904104550590411 ], [ 2.1326495800000003, 2.5150283158, 1.4520522754500003 ], [ 2.1326495800000003, 2.5150283158, -1.4520522745499997 ], [ 2.13264958, 0, 2.90410455 ] ]
[ [ 0, 0, 0 ], [ 5.392631998936299e-16, 3.353371087901002, 3.0958968721961355e-10 ], [ 2.696315999063702e-16, 1.6766855436989982, 2.904104550590411 ], [ 2.1326495800000003, 2.5150283158, 1.4520522754500003 ], [ 2.1326495800000003, 2.5150283158, -1.4520522745499997 ], [ 2.13264958, 0, 2.90410455 ] ]
[ [ 4.26529916, 0, 2.611742482e-16 ], [ 8.088947998e-16, 5.0300566316, -2.9041045491 ], [ 0, 0, 5.8082091 ] ]
6
[ 57, 49, 49, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 2, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag6 In2
8
151.82
-22.828
-0.044
-0.006
0
A3B_oP8_59_ae_b:Ag-In
-22.828251
0
0
-0.041156
-0.041156
-0.007814
0.237223
A3B_oP8_59_ae_b:Ag-In
true
Ag6 In2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.89679213, "alpha": 90, "b": 5.2220289, "beta": 90, "c": 6.10963663, "gamma": 90, "matrix": [ [ 4.89679213, 0, 2.998420404e-16 ], [ 8.397662951000001e-16, 5.2220289, 3.1975704889999996e-16 ], [ 0, 0, 6.10963663 ] ], "volume": 156.2306792198 }, "sites": [ { "abc": [ 0.25, 0.6693800000000001, 0.25 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 1.2241980325, 3.4955217051, 1.5274091575000002 ] }, { "abc": [ 0.75, 0.33062, 0.75 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 3.6725940975, 1.7265071949, 4.5822274725 ] }, { "abc": [ 0.75, 0.325578, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6725940975, 1.7001777252, 1.5274091575000002 ] }, { "abc": [ 0.25, 0.674422, 0.75 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2241980325, 3.5218511748, 4.5822274725 ] }, { "abc": [ 0.25, 0.164649, 0.500495 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2241980325, 0.8598018364000001, 3.0578425851 ] }, { "abc": [ 0.75, 0.835351, 0.499505 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6725940975, 4.3622270636, 3.0517940449 ] }, { "abc": [ 0.25, 0.164649, 0.999505 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2241980325, 0.8598018364000001, 6.1066123599 ] }, { "abc": [ 0.75, 0.835351, 0.000495 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6725940975, 4.3622270636, 0.0030242701 ] } ] }
wbm-1-108
wbm-1-108
[ [ 0.25, 0.6693800000000001, 0.25 ], [ 0.75, 0.33062, 0.75 ], [ 0.75, 0.325578, 0.25 ], [ 0.25, 0.674422, 0.75 ], [ 0.25, 0.164649, 0.500495 ], [ 0.75, 0.835351, 0.499505 ], [ 0.25, 0.164649, 0.999505 ], [ 0.75, 0.835351, 0.000495 ] ]
[ [ 1.2241980325000006, 3.4955217050820004, 1.5274091575000002 ], [ 3.6725940975, 1.726507194918, 4.5822274725 ], [ 3.6725940975, 1.7001777252041999, 1.5274091575000002 ], [ 1.2241980325000006, 3.5218511747957995, 4.5822274725 ], [ 1.2241980325000001, 0.8598018363560999, 3.05784258513185 ], [ 3.6725940975000007, 4.3622270636439, 3.05179404486815 ], [ 1.2241980325000001, 0.8598018363560999, 6.10661235986815 ], [ 3.6725940975000007, 4.3622270636439, 0.003024270131850492 ] ]
[ [ 1.2241980325000006, 3.4955217050820004, 1.5274091575000002 ], [ 3.6725940975, 1.726507194918, 4.5822274725 ], [ 3.6725940975, 1.7001777252041999, 1.5274091575000002 ], [ 1.2241980325000006, 3.5218511747957995, 4.5822274725 ], [ 1.2241980325000001, 0.8598018363560999, 3.05784258513185 ], [ 3.6725940975000007, 4.3622270636439, 3.05179404486815 ], [ 1.2241980325000001, 0.8598018363560999, 6.10661235986815 ], [ 3.6725940975000007, 4.3622270636439, 0.003024270131850492 ] ]
[ [ 4.89679213, 0, 2.998420404e-16 ], [ 8.397662951000001e-16, 5.2220289, 3.1975704889999996e-16 ], [ 0, 0, 6.10963663 ] ]
8
[ 49, 49, 47, 47, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag3 Ir1
4
67.48
-15.666
0.421
0.421
0
A3B_tI8_139_ad_b:Ag-Ir
-15.666422
0
0
0.417445
0.417445
0.41742
0.052087
A3B_tI8_139_ad_b:Ag-Ir
true
Ag3 Ir1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.11439336, "alpha": 114.19988262, "b": 4.11439336, "beta": 114.19988262, "c": 5.01851784, "gamma": 90.00000001, "matrix": [ [ 3.7528244047, 0, -1.6865769203 ], [ -0.7579735698000001, 3.6754818841, -1.6865769203 ], [ 0, 0, 5.01851784 ] ], "volume": 69.2226152492 }, "sites": [ { "abc": [ 0.250002, 0.75, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.3697334295, 2.7566114131, 0.8226786266 ] }, { "abc": [ 0.75, 0.250002, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.6251233952, 0.918877822, 0.8226786266 ] }, { "abc": [ 0.49999899999999997, 0.49999899999999997, 0.9999979999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.4974224226000001, 1.8377372666, 3.3319342559000003 ] }, { "abc": [ 0, 0, 0 ], "label": "Ir", "species": [ { "element": "Ir", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-109
wbm-1-109
[ [ 0.250002, 0.75, 0.5 ], [ 0.75, 0.250002, 0.5 ], [ 0.49999899999999997, 0.49999899999999997, 0.9999979999999999 ], [ 0, 0, 0 ] ]
[ [ 0.36973342947380927, 2.756611413075, 0.8226786265461596 ], [ 2.6251233951278605, 0.9188778219887682, 0.8226786265461596 ], [ 1.497422422599165, 1.8377372665681158, 3.331934255818161 ], [ 0, 0, 0 ] ]
[ [ 0.36973342947380927, 2.756611413075, 0.8226786265461596 ], [ 2.6251233951278605, 0.9188778219887682, 0.8226786265461596 ], [ 1.497422422599165, 1.8377372665681158, 3.331934255818161 ], [ 0, 0, 0 ] ]
[ [ 3.7528244047, 0, -1.6865769203 ], [ -0.7579735698000001, 3.6754818841, -1.6865769203 ], [ 0, 0, 5.01851784 ] ]
4
[ 47, 47, 47, 77 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag3 Ir1
4
67.55
-15.684
0.416
0.416
0
A3B_cP4_221_c_a:Ag-Ir
-15.684441
0
0
0.41294
0.41294
0.412915
0
A3B_cP4_221_c_a:Ag-Ir
true
Ag3 Ir1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.10400383, "alpha": 90, "b": 4.10400383, "beta": 90, "c": 4.10400383, "gamma": 90, "matrix": [ [ 4.10400383, 0, 2.5129775769999997e-16 ], [ 6.599741513e-16, 4.10400383, 2.5129775769999997e-16 ], [ 0, 0, 4.10400383 ] ], "volume": 69.1231103881 }, "sites": [ { "abc": [ 0, 0.5, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.2998707569999996e-16, 2.052001915, 2.052001915 ] }, { "abc": [ 0.5, 0.5, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.052001915, 2.052001915, 2.5129775769999997e-16 ] }, { "abc": [ 0.5, 0, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.052001915, 0, 2.052001915 ] }, { "abc": [ 0, 0, 0 ], "label": "Ir", "species": [ { "element": "Ir", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-110
wbm-1-110
[ [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0, 0 ] ]
[ [ 3.2998707565e-16, 2.052001915, 2.052001915 ], [ 2.0520019150000004, 2.052001915, 2.5129775769999997e-16 ], [ 2.052001915, 0, 2.052001915 ], [ 0, 0, 0 ] ]
[ [ 3.2998707565e-16, 2.052001915, 2.052001915 ], [ 2.0520019150000004, 2.052001915, 2.5129775769999997e-16 ], [ 2.052001915, 0, 2.052001915 ], [ 0, 0, 0 ] ]
[ [ 4.10400383, 0, 2.5129775769999997e-16 ], [ 6.599741513e-16, 4.10400383, 2.5129775769999997e-16 ], [ 0, 0, 4.10400383 ] ]
4
[ 47, 47, 47, 77 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag6 La2
8
188.55
-28.46
-0.204
0.046
0
A3B_hP8_194_h_c:Ag-La
-28.459711
0
0
-0.199014
-0.199014
0.026517
0.436497
A3B_hP8_194_h_c:Ag-La
true
Ag6 La2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.86305275, "alpha": 119.86907018, "b": 6.95412046, "beta": 89.99997422, "c": 6.98190566, "gamma": 90.00000432, "matrix": [ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ], "volume": 204.7515826446 }, "sites": [ { "abc": [ 0.250001, 0.6671400000000001, 0.334277 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 1.2157687404, 4.0231042938, 0.023392445600000002 ] }, { "abc": [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 3.6472947697, 2.0072705808, 3.4952194861 ] }, { "abc": [ 0.75, 0.8587859999999999, 0.14060699999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472904505, 5.1788015171, -1.9925176007 ] }, { "abc": [ 0.75, 0.28182199999999996, 0.14060499999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472898539000003, 1.6994923079, 0.0056614723 ] }, { "abc": [ 0.75, 0.8592989999999999, 0.718602 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.647290451, 5.1818950994, 2.041212294 ] }, { "abc": [ 0.249999, 0.141215, 0.859394 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584705, 0.8515793879, 5.5111400329 ] }, { "abc": [ 0.249999, 0.718178, 0.8593959999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.215759067, 4.3308825667, 3.5129644232 ] }, { "abc": [ 0.249999, 0.14070000000000002, 0.281397 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584699, 0.8484737449, 1.4774031009000002 ] } ] }
wbm-1-111
wbm-1-111
[ [ 0.250001, 0.6671400000000001, 0.334277 ], [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], [ 0.75, 0.8587859999999999, 0.14060699999999998 ], [ 0.75, 0.28182199999999996, 0.14060499999999998 ], [ 0.75, 0.8592989999999999, 0.718602 ], [ 0.249999, 0.141215, 0.859394 ], [ 0.249999, 0.718178, 0.8593959999999999 ], [ 0.249999, 0.14070000000000002, 0.281397 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ]
8
[ 57, 57, 47, 47, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag3 La1
4
93.18
-14.205
-0.198
0.052
0
A3B_cF16_225_ac_b:Ag-La
-14.205028
0
0
-0.192807
-0.192807
0.032724
0.014285
A3B_cF16_225_ac_b:Ag-La
false
Ag3 La1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.0578201, "alpha": 60, "b": 5.0578201, "beta": 60, "c": 5.0578201, "gamma": 60, "matrix": [ [ 4.3802006944, 0, 2.52891005 ], [ 1.4600668981, 4.1296928186, 2.52891005 ], [ 0, 0, 5.0578201 ] ], "volume": 91.4903178021 }, "sites": [ { "abc": [ 0.75, 0.75, 0.75 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 4.3802006944, 3.0972696139, 7.58673015 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.9201337962, 2.0648464093, 5.0578201 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.4600668981, 1.0324232046, 2.52891005 ] } ] }
wbm-1-112
wbm-1-112
[ [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ] ]
[ [ 4.3802006943750005, 3.09726961395, 7.586730149999999 ], [ 0, 0, 0 ], [ 2.92013379625, 2.0648464093, 5.0578201 ], [ 1.460066898125, 1.03242320465, 2.52891005 ] ]
[ [ 4.3802006943750005, 3.09726961395, 7.586730149999999 ], [ 0, 0, 0 ], [ 2.92013379625, 2.0648464093, 5.0578201 ], [ 1.460066898125, 1.03242320465, 2.52891005 ] ]
[ [ 4.3802006944, 0, 2.52891005 ], [ 1.4600668981, 4.1296928186, 2.52891005 ], [ 0, 0, 5.0578201 ] ]
4
[ 57, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag6 Nd2
8
180.43
-28.08
-0.197
0.062
0
A3B_hP8_194_h_c:Ag-Nd
-28.079544
0
0
-0.193468
-0.193468
0.064145
0.775928
A3B_hP8_194_h_c:Ag-Nd
false
Ag6 Nd2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.86305275, "alpha": 119.86907018, "b": 6.95412046, "beta": 89.99997422, "c": 6.98190566, "gamma": 90.00000432, "matrix": [ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ], "volume": 204.7515826446 }, "sites": [ { "abc": [ 0.250001, 0.6671400000000001, 0.334277 ], "label": "Nd", "species": [ { "element": "Nd", "occu": 1 } ], "xyz": [ 1.2157687404, 4.0231042938, 0.023392445600000002 ] }, { "abc": [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], "label": "Nd", "species": [ { "element": "Nd", "occu": 1 } ], "xyz": [ 3.6472947697, 2.0072705808, 3.4952194861 ] }, { "abc": [ 0.75, 0.8587859999999999, 0.14060699999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472904505, 5.1788015171, -1.9925176007 ] }, { "abc": [ 0.75, 0.28182199999999996, 0.14060499999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472898539000003, 1.6994923079, 0.0056614723 ] }, { "abc": [ 0.75, 0.8592989999999999, 0.718602 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.647290451, 5.1818950994, 2.041212294 ] }, { "abc": [ 0.249999, 0.141215, 0.859394 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584705, 0.8515793879, 5.5111400329 ] }, { "abc": [ 0.249999, 0.718178, 0.8593959999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.215759067, 4.3308825667, 3.5129644232 ] }, { "abc": [ 0.249999, 0.14070000000000002, 0.281397 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584699, 0.8484737449, 1.4774031009000002 ] } ] }
wbm-1-113
wbm-1-113
[ [ 0.250001, 0.6671400000000001, 0.334277 ], [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], [ 0.75, 0.8587859999999999, 0.14060699999999998 ], [ 0.75, 0.28182199999999996, 0.14060499999999998 ], [ 0.75, 0.8592989999999999, 0.718602 ], [ 0.249999, 0.141215, 0.859394 ], [ 0.249999, 0.718178, 0.8593959999999999 ], [ 0.249999, 0.14070000000000002, 0.281397 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ]
8
[ 60, 60, 47, 47, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag6 Np2
8
162.57
-41.039
0.227
0.227
0
A3B_hP8_194_h_c:Ag-Np
-41.034118
0
0
0.232135
0.232135
0.232097
1.313006
A3B_oP8_51_ek_f:Ag-Np
true
Ag6 Np2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.86305275, "alpha": 119.86907018, "b": 6.95412046, "beta": 89.99997422, "c": 6.98190566, "gamma": 90.00000432, "matrix": [ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ], "volume": 204.7515826446 }, "sites": [ { "abc": [ 0.250001, 0.6671400000000001, 0.334277 ], "label": "Np", "species": [ { "element": "Np", "occu": 1 } ], "xyz": [ 1.2157687404, 4.0231042938, 0.023392445600000002 ] }, { "abc": [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], "label": "Np", "species": [ { "element": "Np", "occu": 1 } ], "xyz": [ 3.6472947697, 2.0072705808, 3.4952194861 ] }, { "abc": [ 0.75, 0.8587859999999999, 0.14060699999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472904505, 5.1788015171, -1.9925176007 ] }, { "abc": [ 0.75, 0.28182199999999996, 0.14060499999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472898539000003, 1.6994923079, 0.0056614723 ] }, { "abc": [ 0.75, 0.8592989999999999, 0.718602 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.647290451, 5.1818950994, 2.041212294 ] }, { "abc": [ 0.249999, 0.141215, 0.859394 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584705, 0.8515793879, 5.5111400329 ] }, { "abc": [ 0.249999, 0.718178, 0.8593959999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.215759067, 4.3308825667, 3.5129644232 ] }, { "abc": [ 0.249999, 0.14070000000000002, 0.281397 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584699, 0.8484737449, 1.4774031009000002 ] } ] }
wbm-1-114
wbm-1-114
[ [ 0.250001, 0.6671400000000001, 0.334277 ], [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], [ 0.75, 0.8587859999999999, 0.14060699999999998 ], [ 0.75, 0.28182199999999996, 0.14060499999999998 ], [ 0.75, 0.8592989999999999, 0.718602 ], [ 0.249999, 0.141215, 0.859394 ], [ 0.249999, 0.718178, 0.8593959999999999 ], [ 0.249999, 0.14070000000000002, 0.281397 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ]
8
[ 93, 93, 47, 47, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag3 Pb1
4
83.21
-11.884
0.076
0.076
0
A3B_cF16_225_ac_b:Ag-Pb
-11.884499
0
0
0.081475
0.081475
0.081454
0.031155
A3B_cF16_225_ac_b:Ag-Pb
true
Ag3 Pb1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.92428471, "alpha": 60.00001963, "b": 4.9242861399999995, "beta": 60.00000907, "c": 4.9242854, "gamma": 59.99998867, "matrix": [ [ 4.2645560441, 0, 2.4621416799 ], [ 1.4215210414000001, 4.0206629572, 2.4621416089 ], [ 0, 0, 4.9242854 ] ], "volume": 84.4334841109 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.8430385427, 2.0103314786, 4.9242843444 ] }, { "abc": [ 0.250003, 0.249999, 0.249999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.4215306435000001, 1.0051617186, 2.4621421722 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Pb", "species": [ { "element": "Pb", "occu": 1 } ], "xyz": [ 4.2645578141, 3.0154972179, 7.3864265166 ] } ] }
wbm-1-115
wbm-1-115
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.250003, 0.249999, 0.249999 ], [ 0.75, 0.75, 0.75 ] ]
[ [ 0, 0, 0 ], [ 2.84303854275, 2.0103314786, 4.9242843444 ], [ 1.421530643522091, 1.0051617186370427, 2.4621421721980306 ], [ 4.264557814125, 3.0154972179, 7.3864265166 ] ]
[ [ 0, 0, 0 ], [ 2.84303854275, 2.0103314786, 4.9242843444 ], [ 1.421530643522091, 1.0051617186370427, 2.4621421721980306 ], [ 4.264557814125, 3.0154972179, 7.3864265166 ] ]
[ [ 4.2645560441, 0, 2.4621416799 ], [ 1.4215210414000001, 4.0206629572, 2.4621416089 ], [ 0, 0, 4.9242854 ] ]
4
[ 47, 47, 47, 82 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag6 Pb2
8
165.73
-23.987
0.048
0.048
0
A3B_oP8_59_ae_b:Ag-Pb
-23.987
0
0
0.054225
0.054225
0.054204
0.596674
A3B_oP8_59_ae_b:Ag-Pb
true
Ag6 Pb2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.89679213, "alpha": 90, "b": 5.2220289, "beta": 90, "c": 6.10963663, "gamma": 90, "matrix": [ [ 4.89679213, 0, 2.998420404e-16 ], [ 8.397662951000001e-16, 5.2220289, 3.1975704889999996e-16 ], [ 0, 0, 6.10963663 ] ], "volume": 156.2306792198 }, "sites": [ { "abc": [ 0.75, 0.325578, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6725940975, 1.7001777252, 1.5274091575000002 ] }, { "abc": [ 0.25, 0.674422, 0.75 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2241980325, 3.5218511748, 4.5822274725 ] }, { "abc": [ 0.25, 0.164649, 0.500495 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2241980325, 0.8598018364000001, 3.0578425851 ] }, { "abc": [ 0.75, 0.835351, 0.499505 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6725940975, 4.3622270636, 3.0517940449 ] }, { "abc": [ 0.25, 0.164649, 0.999505 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2241980325, 0.8598018364000001, 6.1066123599 ] }, { "abc": [ 0.75, 0.835351, 0.000495 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6725940975, 4.3622270636, 0.0030242701 ] }, { "abc": [ 0.25, 0.6693800000000001, 0.25 ], "label": "Pb", "species": [ { "element": "Pb", "occu": 1 } ], "xyz": [ 1.2241980325, 3.4955217051, 1.5274091575000002 ] }, { "abc": [ 0.75, 0.33062, 0.75 ], "label": "Pb", "species": [ { "element": "Pb", "occu": 1 } ], "xyz": [ 3.6725940975, 1.7265071949, 4.5822274725 ] } ] }
wbm-1-116
wbm-1-116
[ [ 0.75, 0.325578, 0.25 ], [ 0.25, 0.674422, 0.75 ], [ 0.25, 0.164649, 0.500495 ], [ 0.75, 0.835351, 0.499505 ], [ 0.25, 0.164649, 0.999505 ], [ 0.75, 0.835351, 0.000495 ], [ 0.25, 0.6693800000000001, 0.25 ], [ 0.75, 0.33062, 0.75 ] ]
[ [ 3.6725940975, 1.7001777252041999, 1.5274091575000002 ], [ 1.2241980325000006, 3.5218511747957995, 4.5822274725 ], [ 1.2241980325000001, 0.8598018363560999, 3.05784258513185 ], [ 3.6725940975000007, 4.3622270636439, 3.05179404486815 ], [ 1.2241980325000001, 0.8598018363560999, 6.10661235986815 ], [ 3.6725940975000007, 4.3622270636439, 0.003024270131850492 ], [ 1.2241980325000006, 3.4955217050820004, 1.5274091575000002 ], [ 3.6725940975, 1.726507194918, 4.5822274725 ] ]
[ [ 3.6725940975, 1.7001777252041999, 1.5274091575000002 ], [ 1.2241980325000006, 3.5218511747957995, 4.5822274725 ], [ 1.2241980325000001, 0.8598018363560999, 3.05784258513185 ], [ 3.6725940975000007, 4.3622270636439, 3.05179404486815 ], [ 1.2241980325000001, 0.8598018363560999, 6.10661235986815 ], [ 3.6725940975000007, 4.3622270636439, 0.003024270131850492 ], [ 1.2241980325000006, 3.4955217050820004, 1.5274091575000002 ], [ 3.6725940975, 1.726507194918, 4.5822274725 ] ]
[ [ 4.89679213, 0, 2.998420404e-16 ], [ 8.397662951000001e-16, 5.2220289, 3.1975704889999996e-16 ], [ 0, 0, 6.10963663 ] ]
8
[ 47, 47, 47, 47, 47, 47, 82, 82 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag6 Pm2
8
177.49
-28.085
-0.202
-0.06
0
A3B_hP8_194_h_c:Ag-Pm
-28.084843
0
0
-0.19853
-0.19853
0.004743
0.925713
A3B_hP8_194_h_c:Ag-Pm
false
Ag6 Pm2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.86305275, "alpha": 119.86907018, "b": 6.95412046, "beta": 89.99997422, "c": 6.98190566, "gamma": 90.00000432, "matrix": [ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ], "volume": 204.7515826446 }, "sites": [ { "abc": [ 0.250001, 0.6671400000000001, 0.334277 ], "label": "Pm", "species": [ { "element": "Pm", "occu": 1 } ], "xyz": [ 1.2157687404, 4.0231042938, 0.023392445600000002 ] }, { "abc": [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], "label": "Pm", "species": [ { "element": "Pm", "occu": 1 } ], "xyz": [ 3.6472947697, 2.0072705808, 3.4952194861 ] }, { "abc": [ 0.75, 0.8587859999999999, 0.14060699999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472904505, 5.1788015171, -1.9925176007 ] }, { "abc": [ 0.75, 0.28182199999999996, 0.14060499999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472898539000003, 1.6994923079, 0.0056614723 ] }, { "abc": [ 0.75, 0.8592989999999999, 0.718602 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.647290451, 5.1818950994, 2.041212294 ] }, { "abc": [ 0.249999, 0.141215, 0.859394 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584705, 0.8515793879, 5.5111400329 ] }, { "abc": [ 0.249999, 0.718178, 0.8593959999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.215759067, 4.3308825667, 3.5129644232 ] }, { "abc": [ 0.249999, 0.14070000000000002, 0.281397 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584699, 0.8484737449, 1.4774031009000002 ] } ] }
wbm-1-117
wbm-1-117
[ [ 0.250001, 0.6671400000000001, 0.334277 ], [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], [ 0.75, 0.8587859999999999, 0.14060699999999998 ], [ 0.75, 0.28182199999999996, 0.14060499999999998 ], [ 0.75, 0.8592989999999999, 0.718602 ], [ 0.249999, 0.141215, 0.859394 ], [ 0.249999, 0.718178, 0.8593959999999999 ], [ 0.249999, 0.14070000000000002, 0.281397 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ]
8
[ 61, 61, 47, 47, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag6 Pr2
8
183.34
-28.071
-0.191
0.066
0
A3B_hP8_194_h_c:Ag-Pr
-28.070954
0
0
-0.189194
-0.189194
0.066557
0.627822
A3B_hP8_194_h_c:Ag-Pr
true
Ag6 Pr2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.86305275, "alpha": 119.86907018, "b": 6.95412046, "beta": 89.99997422, "c": 6.98190566, "gamma": 90.00000432, "matrix": [ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ], "volume": 204.7515826446 }, "sites": [ { "abc": [ 0.250001, 0.6671400000000001, 0.334277 ], "label": "Pr", "species": [ { "element": "Pr", "occu": 1 } ], "xyz": [ 1.2157687404, 4.0231042938, 0.023392445600000002 ] }, { "abc": [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], "label": "Pr", "species": [ { "element": "Pr", "occu": 1 } ], "xyz": [ 3.6472947697, 2.0072705808, 3.4952194861 ] }, { "abc": [ 0.75, 0.8587859999999999, 0.14060699999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472904505, 5.1788015171, -1.9925176007 ] }, { "abc": [ 0.75, 0.28182199999999996, 0.14060499999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472898539000003, 1.6994923079, 0.0056614723 ] }, { "abc": [ 0.75, 0.8592989999999999, 0.718602 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.647290451, 5.1818950994, 2.041212294 ] }, { "abc": [ 0.249999, 0.141215, 0.859394 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584705, 0.8515793879, 5.5111400329 ] }, { "abc": [ 0.249999, 0.718178, 0.8593959999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.215759067, 4.3308825667, 3.5129644232 ] }, { "abc": [ 0.249999, 0.14070000000000002, 0.281397 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584699, 0.8484737449, 1.4774031009000002 ] } ] }
wbm-1-118
wbm-1-118
[ [ 0.250001, 0.6671400000000001, 0.334277 ], [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], [ 0.75, 0.8587859999999999, 0.14060699999999998 ], [ 0.75, 0.28182199999999996, 0.14060499999999998 ], [ 0.75, 0.8592989999999999, 0.718602 ], [ 0.249999, 0.141215, 0.859394 ], [ 0.249999, 0.718178, 0.8593959999999999 ], [ 0.249999, 0.14070000000000002, 0.281397 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ]
8
[ 59, 59, 47, 47, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag3 Pt1
4
68.65
-14.487
0.014
0.036
0
A3B_tI8_139_ad_b:Ag-Pt
-14.487143
0
0
0.020439
0.020439
0.038032
0.123297
A3B_tI8_139_ad_b:Ag-Pt
true
Ag3 Pt1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.11439336, "alpha": 114.19988262, "b": 4.11439336, "beta": 114.19988262, "c": 5.01851784, "gamma": 90.00000001, "matrix": [ [ 3.7528244047, 0, -1.6865769203 ], [ -0.7579735698000001, 3.6754818841, -1.6865769203 ], [ 0, 0, 5.01851784 ] ], "volume": 69.2226152492 }, "sites": [ { "abc": [ 0.250002, 0.75, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.3697334295, 2.7566114131, 0.8226786266 ] }, { "abc": [ 0.75, 0.250002, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.6251233952, 0.918877822, 0.8226786266 ] }, { "abc": [ 0.49999899999999997, 0.49999899999999997, 0.9999979999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.4974224226000001, 1.8377372666, 3.3319342559000003 ] }, { "abc": [ 0, 0, 0 ], "label": "Pt", "species": [ { "element": "Pt", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-119
wbm-1-119
[ [ 0.250002, 0.75, 0.5 ], [ 0.75, 0.250002, 0.5 ], [ 0.49999899999999997, 0.49999899999999997, 0.9999979999999999 ], [ 0, 0, 0 ] ]
[ [ 0.36973342947380927, 2.756611413075, 0.8226786265461596 ], [ 2.6251233951278605, 0.9188778219887682, 0.8226786265461596 ], [ 1.497422422599165, 1.8377372665681158, 3.331934255818161 ], [ 0, 0, 0 ] ]
[ [ 0.36973342947380927, 2.756611413075, 0.8226786265461596 ], [ 2.6251233951278605, 0.9188778219887682, 0.8226786265461596 ], [ 1.497422422599165, 1.8377372665681158, 3.331934255818161 ], [ 0, 0, 0 ] ]
[ [ 3.7528244047, 0, -1.6865769203 ], [ -0.7579735698000001, 3.6754818841, -1.6865769203 ], [ 0, 0, 5.01851784 ] ]
4
[ 47, 47, 47, 78 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag6 Pu2
8
177.15
-45.022
0.079
0.079
0
A3B_hP8_194_h_c:Ag-Pu
-45.001691
0
0
0.066189
0.066189
0.066165
1.127988
A3B_oC16_63_cg_c:Ag-Pu
true
Ag6 Pu2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.86305275, "alpha": 119.86907018, "b": 6.95412046, "beta": 89.99997422, "c": 6.98190566, "gamma": 90.00000432, "matrix": [ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ], "volume": 204.7515826446 }, "sites": [ { "abc": [ 0.250001, 0.6671400000000001, 0.334277 ], "label": "Pu", "species": [ { "element": "Pu", "occu": 1 } ], "xyz": [ 1.2157687404, 4.0231042938, 0.023392445600000002 ] }, { "abc": [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], "label": "Pu", "species": [ { "element": "Pu", "occu": 1 } ], "xyz": [ 3.6472947697, 2.0072705808, 3.4952194861 ] }, { "abc": [ 0.75, 0.8587859999999999, 0.14060699999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472904505, 5.1788015171, -1.9925176007 ] }, { "abc": [ 0.75, 0.28182199999999996, 0.14060499999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472898539000003, 1.6994923079, 0.0056614723 ] }, { "abc": [ 0.75, 0.8592989999999999, 0.718602 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.647290451, 5.1818950994, 2.041212294 ] }, { "abc": [ 0.249999, 0.141215, 0.859394 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584705, 0.8515793879, 5.5111400329 ] }, { "abc": [ 0.249999, 0.718178, 0.8593959999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.215759067, 4.3308825667, 3.5129644232 ] }, { "abc": [ 0.249999, 0.14070000000000002, 0.281397 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584699, 0.8484737449, 1.4774031009000002 ] } ] }
wbm-1-120
wbm-1-120
[ [ 0.250001, 0.6671400000000001, 0.334277 ], [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], [ 0.75, 0.8587859999999999, 0.14060699999999998 ], [ 0.75, 0.28182199999999996, 0.14060499999999998 ], [ 0.75, 0.8592989999999999, 0.718602 ], [ 0.249999, 0.141215, 0.859394 ], [ 0.249999, 0.718178, 0.8593959999999999 ], [ 0.249999, 0.14070000000000002, 0.281397 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ]
8
[ 94, 94, 47, 47, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag6 Sn2
8
155.36
-25.162
-0.021
-0.021
0
A3B_hP8_194_h_c:Ag-Sn
-25.161837
0
0
-0.01838
-0.01838
0.000774
0.224707
A3B_hP8_194_h_c:Ag-Sn
true
Ag6 Sn2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.99927967, "alpha": 119.99999223, "b": 6.03842145, "beta": 90, "c": 6.03842045, "gamma": 90, "matrix": [ [ 4.99927967, 0, 3.0611759229999997e-16 ], [ 8.409559656e-16, 5.2294267839, -3.0192100158 ], [ 0, 0, 6.03842045 ] ], "volume": 157.8646419639 }, "sites": [ { "abc": [ 0.7500009999999999, 0.8358829999999999, 0.16411699999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.7494647518, 4.3711889484, -1.5326988767 ] }, { "abc": [ 0.7500009999999999, 0.328235, 0.16411699999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.7494647518, 1.7164809004000001, -0.0000029506 ] }, { "abc": [ 0.7500009999999999, 0.835882, 0.6717639999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.7494647518, 4.371183719, 1.5326901686999999 ] }, { "abc": [ 0.249999, 0.164119, 0.835884 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2498149182, 0.8582482943, 4.5519093108 ] }, { "abc": [ 0.249999, 0.671767, 0.8358829999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2498149182, 3.5129563423, 3.0192073463 ] }, { "abc": [ 0.249999, 0.16411799999999999, 0.32823399999999997 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2498149182, 0.8582430649, 1.4865081886 ] }, { "abc": [ 0.249999, 0.6666666667000001, 0.33333333330000003 ], "label": "Sn", "species": [ { "element": "Sn", "occu": 1 } ], "xyz": [ 1.2498149182, 3.4862845226, 1.3940000000000002e-7 ] }, { "abc": [ 0.7500009999999999, 0.33333333330000003, 0.6666666667000001 ], "label": "Sn", "species": [ { "element": "Sn", "occu": 1 } ], "xyz": [ 3.7494647518, 1.7431422613, 3.0192102947 ] } ] }
wbm-1-121
wbm-1-121
[ [ 0.7500009999999999, 0.8358829999999999, 0.16411699999999999 ], [ 0.7500009999999999, 0.328235, 0.16411699999999999 ], [ 0.7500009999999999, 0.835882, 0.6717639999999999 ], [ 0.249999, 0.164119, 0.835884 ], [ 0.249999, 0.671767, 0.8358829999999999 ], [ 0.249999, 0.16411799999999999, 0.32823399999999997 ], [ 0.249999, 0.6666666667000001, 0.33333333330000003 ], [ 0.7500009999999999, 0.33333333330000003, 0.6666666667000001 ] ]
[ [ 3.7494647517796706, 4.371188948406683, -1.532698876644301 ], [ 3.74946475177967, 1.7164809004134165, -0.0000029505434628873672 ], [ 3.7494647517796706, 4.3711837189799, 1.5326901687468646 ], [ 1.2498149182203302, 0.8582482943468841, 4.55190931084472 ], [ 1.2498149182203306, 3.5129563423401513, 3.0192073463234306 ], [ 1.2498149182203302, 0.8582430649201002, 1.4865081886122355 ], [ 1.2498149182203306, 3.486284522774315, 1.3916474550512703e-7 ], [ 3.74946475177967, 1.743142261125686, 3.019210295035255 ] ]
[ [ 3.7494647517796706, 4.371188948406683, -1.532698876644301 ], [ 3.74946475177967, 1.7164809004134165, -0.0000029505434628873672 ], [ 3.7494647517796706, 4.3711837189799, 1.5326901687468646 ], [ 1.2498149182203302, 0.8582482943468841, 4.55190931084472 ], [ 1.2498149182203306, 3.5129563423401513, 3.0192073463234306 ], [ 1.2498149182203302, 0.8582430649201002, 1.4865081886122355 ], [ 1.2498149182203306, 3.486284522774315, 1.3916474550512703e-7 ], [ 3.74946475177967, 1.743142261125686, 3.019210295035255 ] ]
[ [ 4.99927967, 0, 3.0611759229999997e-16 ], [ 8.409559656e-16, 5.2294267839, -3.0192100158 ], [ 0, 0, 6.03842045 ] ]
8
[ 47, 47, 47, 47, 47, 47, 50, 50 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag3 Sn1
4
77.7
-12.509
-0.003
-0.003
0
A3B_cP4_221_c_a:Ag-Sn
-12.508717
0
0
-0.000329
-0.000329
0.018825
0
A3B_cP4_221_c_a:Ag-Sn
true
Ag3 Sn1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.24711007, "alpha": 90, "b": 4.24711007, "beta": 90, "c": 4.24711007, "gamma": 90, "matrix": [ [ 4.24711007, 0, 2.6006048760000004e-16 ], [ 6.829873899e-16, 4.24711007, 2.6006048760000004e-16 ], [ 0, 0, 4.24711007 ] ], "volume": 76.6091333781 }, "sites": [ { "abc": [ 0, 0.5, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.41493695e-16, 2.123555035, 2.123555035 ] }, { "abc": [ 0.5, 0.5, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.123555035, 2.123555035, 2.6006048760000004e-16 ] }, { "abc": [ 0.5, 0, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.123555035, 0, 2.123555035 ] }, { "abc": [ 0, 0, 0 ], "label": "Sn", "species": [ { "element": "Sn", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-122
wbm-1-122
[ [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ], [ 0, 0, 0 ] ]
[ [ 3.4149369495e-16, 2.123555035, 2.123555035 ], [ 2.1235550350000003, 2.123555035, 2.6006048760000004e-16 ], [ 2.123555035, 0, 2.123555035 ], [ 0, 0, 0 ] ]
[ [ 3.4149369495e-16, 2.123555035, 2.123555035 ], [ 2.1235550350000003, 2.123555035, 2.6006048760000004e-16 ], [ 2.123555035, 0, 2.123555035 ], [ 0, 0, 0 ] ]
[ [ 4.24711007, 0, 2.6006048760000004e-16 ], [ 6.829873899e-16, 4.24711007, 2.6006048760000004e-16 ], [ 0, 0, 4.24711007 ] ]
4
[ 47, 47, 47, 50 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag6 Ta2
8
142.58
-36.77
0.489
0.489
0
A3B_hP8_194_h_c:Ag-Ta
-36.770266
0
0
0.492617
0.492617
0.492578
1.732853
A3B_hP8_194_h_c:Ag-Ta
true
Ag6 Ta2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.86305275, "alpha": 119.86907018, "b": 6.95412046, "beta": 89.99997422, "c": 6.98190566, "gamma": 90.00000432, "matrix": [ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ], "volume": 204.7515826446 }, "sites": [ { "abc": [ 0.250001, 0.6671400000000001, 0.334277 ], "label": "Ta", "species": [ { "element": "Ta", "occu": 1 } ], "xyz": [ 1.2157687404, 4.0231042938, 0.023392445600000002 ] }, { "abc": [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], "label": "Ta", "species": [ { "element": "Ta", "occu": 1 } ], "xyz": [ 3.6472947697, 2.0072705808, 3.4952194861 ] }, { "abc": [ 0.75, 0.8587859999999999, 0.14060699999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472904505, 5.1788015171, -1.9925176007 ] }, { "abc": [ 0.75, 0.28182199999999996, 0.14060499999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472898539000003, 1.6994923079, 0.0056614723 ] }, { "abc": [ 0.75, 0.8592989999999999, 0.718602 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.647290451, 5.1818950994, 2.041212294 ] }, { "abc": [ 0.249999, 0.141215, 0.859394 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584705, 0.8515793879, 5.5111400329 ] }, { "abc": [ 0.249999, 0.718178, 0.8593959999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.215759067, 4.3308825667, 3.5129644232 ] }, { "abc": [ 0.249999, 0.14070000000000002, 0.281397 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584699, 0.8484737449, 1.4774031009000002 ] } ] }
wbm-1-123
wbm-1-123
[ [ 0.250001, 0.6671400000000001, 0.334277 ], [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], [ 0.75, 0.8587859999999999, 0.14060699999999998 ], [ 0.75, 0.28182199999999996, 0.14060499999999998 ], [ 0.75, 0.8592989999999999, 0.718602 ], [ 0.249999, 0.141215, 0.859394 ], [ 0.249999, 0.718178, 0.8593959999999999 ], [ 0.249999, 0.14070000000000002, 0.281397 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ]
8
[ 73, 73, 47, 47, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag6 Cs2 Te4
12
371.64
-36.198
-0.405
-0.013
0.39
A3BC2_mC24_12_3i_i_2i:Ag-Cs-Te
-36.197811
-0.140667
0
-0.403184
-0.543851
-0.003949
0.439169
A3BC2_mC24_12_3i_i_2i:Ag-Cs-Te
false
Ag6 Cs2 Te4
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.49215927, "alpha": 111.82579397, "b": 8.75468474, "beta": 90, "c": 9.36033757, "gamma": 104.86589124, "matrix": [ [ 4.49215927, 0, 2.750654236e-16 ], [ -2.2460796285, 7.8105998087, -3.2548674055999998 ], [ 0, 0, 9.36033757 ] ], "volume": 328.4210941493 }, "sites": [ { "abc": [ 0.8630800000000001, 0.726161, 0.952019 ], "label": "Cs", "species": [ { "element": "Cs", "occu": 1 } ], "xyz": [ 2.2460773936, 5.6717529677, 6.547661443 ] }, { "abc": [ 0.13692000000000001, 0.273839, 0.047980999999999996 ], "label": "Cs", "species": [ { "element": "Cs", "occu": 1 } ], "xyz": [ 0.0000022479, 2.138846841, -0.4421912785 ] }, { "abc": [ 0.311602, 0.623203, 0.5630149999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.0000022501000000000003, 4.8675892326, 3.2415673252 ] }, { "abc": [ 0.9421539999999999, 0.884308, 0.596541 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.2460796407, 6.9069758956000005, 2.7055198487 ] }, { "abc": [ 0.5898519999999999, 0.179704, 0.636315 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.2460796362, 1.403596028, 5.3712105086 ] }, { "abc": [ 0.41014799999999996, 0.8202959999999999, 0.363685 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 5.3e-9, 6.4070037807, 0.7342596558000001 ] }, { "abc": [ 0.057845999999999995, 0.11569199999999999, 0.40345899999999996 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 7.000000000000001e-10, 0.9036239131, 3.3999503158 ] }, { "abc": [ 0.688398, 0.376797, 0.43698499999999996 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.2460773914, 2.9430105761, 2.8639028392 ] }, { "abc": [ 0.478409, 0.956818, 0.7705329999999999 ], "label": "Te", "species": [ { "element": "Te", "occu": 1 } ], "xyz": [ 6.2e-9, 7.4733224877, 4.0981332676 ] }, { "abc": [ 0.521591, 0.043182, 0.22946699999999998 ], "label": "Te", "species": [ { "element": "Te", "occu": 1 } ], "xyz": [ 2.2460796353, 0.3372773209, 2.0073368969 ] }, { "abc": [ 0.806067, 0.6121329999999999, 0.31570699999999996 ], "label": "Te", "species": [ { "element": "Te", "occu": 1 } ], "xyz": [ 2.246081885, 4.7811258927, 0.9627123436 ] }, { "abc": [ 0.193933, 0.38786699999999996, 0.6842929999999999 ], "label": "Te", "species": [ { "element": "Te", "occu": 1 } ], "xyz": [ -0.0000022436, 3.029473916, 5.1427578208 ] } ] }
wbm-1-124
wbm-1-124
[ [ 0.8630800000000001, 0.726161, 0.952019 ], [ 0.13692000000000001, 0.273839, 0.047980999999999996 ], [ 0.311602, 0.623203, 0.5630149999999999 ], [ 0.9421539999999999, 0.884308, 0.596541 ], [ 0.5898519999999999, 0.179704, 0.636315 ], [ 0.41014799999999996, 0.8202959999999999, 0.363685 ], [ 0.057845999999999995, 0.11569199999999999, 0.40345899999999996 ], [ 0.688398, 0.376797, 0.43698499999999996 ], [ 0.478409, 0.956818, 0.7705329999999999 ], [ 0.521591, 0.043182, 0.22946699999999998 ], [ 0.806067, 0.6121329999999999, 0.31570699999999996 ], [ 0.193933, 0.38786699999999996, 0.6842929999999999 ] ]
[ [ 2.246077393640412, 5.6717529676854, 6.547661442935929 ], [ 0.000002247859588577761, 2.1388468410145993, -0.4421912785359283 ], [ 0.0000022501304546285184, 4.867589232581266, 3.241567325201413 ], [ 2.246079640748002, 6.90697589563188, 2.7055198486340464 ], [ 2.246079636168076, 1.403596028022625, 5.371210508598607 ], [ 5.331924235463248e-9, 6.407003780677375, 0.7342596558013925 ], [ 7.519980194103937e-10, 0.9036239130681203, 3.3999503157659543 ], [ 2.2460773913695453, 2.9430105761187337, 2.863902839198587 ], [ 6.219317061351148e-9, 7.473322487760717, 4.098133267533429 ], [ 2.246079635280683, 0.33727732093928336, 2.007336896866571 ], [ 2.2460818850584996, 4.781125892698957, 0.9627123436198455 ], [ -0.000002243558499426257, 3.029473916001043, 5.1427578207801545 ] ]
[ [ 2.246077393640412, 5.6717529676854, 6.547661442935929 ], [ 0.000002247859588577761, 2.1388468410145993, -0.4421912785359283 ], [ 0.0000022501304546285184, 4.867589232581266, 3.241567325201413 ], [ 2.246079640748002, 6.90697589563188, 2.7055198486340464 ], [ 2.246079636168076, 1.403596028022625, 5.371210508598607 ], [ 5.331924235463248e-9, 6.407003780677375, 0.7342596558013925 ], [ 7.519980194103937e-10, 0.9036239130681203, 3.3999503157659543 ], [ 2.2460773913695453, 2.9430105761187337, 2.863902839198587 ], [ 6.219317061351148e-9, 7.473322487760717, 4.098133267533429 ], [ 2.246079635280683, 0.33727732093928336, 2.007336896866571 ], [ 2.2460818850584996, 4.781125892698957, 0.9627123436198455 ], [ -0.000002243558499426257, 3.029473916001043, 5.1427578207801545 ] ]
[ [ 4.49215927, 0, 2.750654236e-16 ], [ -2.2460796285, 7.8105998087, -3.2548674055999998 ], [ 0, 0, 9.36033757 ] ]
12
[ 55, 55, 47, 47, 47, 47, 47, 47, 52, 52, 52, 52 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, 0, 0, 0, 4, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag6 Th2
8
181.08
-32.267
-0.059
0.1
0
A3B_hP8_194_h_c:Ag-Th
-32.267019
0
0
-0.055452
-0.055452
0.100043
0.135737
A3B_hP8_194_h_c:Ag-Th
false
Ag6 Th2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.89837978, "alpha": 119.96094896, "b": 6.55742428, "beta": 90, "c": 6.56161402, "gamma": 90, "matrix": [ [ 4.89837978, 0, 2.999392559e-16 ], [ 9.135952799e-16, 5.68112936, -3.274840818 ], [ 0, 0, 6.56161402 ] ], "volume": 182.5987549296 }, "sites": [ { "abc": [ 0.249999, 0.33339799999999997, 0.6667919999999999 ], "label": "Th", "species": [ { "element": "Th", "occu": 1 } ], "xyz": [ 1.2245900466, 1.8940771664, 3.2834063566 ] }, { "abc": [ 0.749999, 0.66654, 0.333385 ], "label": "Th", "species": [ { "element": "Th", "occu": 1 } ], "xyz": [ 3.6737799366, 3.7866999636000003, 0.0047312912 ] }, { "abc": [ 0.749999, 0.698553, 0.849324 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6737799366, 3.9685699577999998, 3.285286388 ] }, { "abc": [ 0.749999, 0.150618, 0.30138000000000004 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6737799366, 0.8556803419000001, 1.484289259 ] }, { "abc": [ 0.749999, 0.150759, 0.849216 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6737799366, 0.8564813812000001, 5.0785158847 ] }, { "abc": [ 0.249999, 0.301407, 0.150688 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2245900466, 1.712332157, 0.001696547 ] }, { "abc": [ 0.249999, 0.849359, 0.698588 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2245900466, 4.825318352, 1.8023492927 ] }, { "abc": [ 0.249999, 0.8493689999999999, 0.15062799999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2245900466, 4.8253751633, -1.7931854741 ] } ] }
wbm-1-125
wbm-1-125
[ [ 0.249999, 0.33339799999999997, 0.6667919999999999 ], [ 0.749999, 0.66654, 0.333385 ], [ 0.749999, 0.698553, 0.849324 ], [ 0.749999, 0.150618, 0.30138000000000004 ], [ 0.749999, 0.150759, 0.849216 ], [ 0.249999, 0.301407, 0.150688 ], [ 0.249999, 0.849359, 0.698588 ], [ 0.249999, 0.8493689999999999, 0.15062799999999998 ] ]
[ [ 1.2245900466202202, 1.8940771663652798, 3.2834063565842757 ], [ 3.67377993662022, 3.7866999636144, 0.004731291227980439 ], [ 3.67377993662022, 3.96856995781608, 3.2852863879861265 ], [ 3.6737799366202197, 0.85568034194448, 1.4842892590220766 ], [ 3.6737799366202197, 0.85648138118424, 5.078515884727459 ], [ 1.2245900466202202, 1.7123321570095198, 0.0016965470148342376 ], [ 1.2245900466202206, 4.82531835208024, 1.8023492926680977 ], [ 1.2245900466202206, 4.825375163373839, -1.7931854741392819 ] ]
[ [ 1.2245900466202202, 1.8940771663652798, 3.2834063565842757 ], [ 3.67377993662022, 3.7866999636144, 0.004731291227980439 ], [ 3.67377993662022, 3.96856995781608, 3.2852863879861265 ], [ 3.6737799366202197, 0.85568034194448, 1.4842892590220766 ], [ 3.6737799366202197, 0.85648138118424, 5.078515884727459 ], [ 1.2245900466202202, 1.7123321570095198, 0.0016965470148342376 ], [ 1.2245900466202206, 4.82531835208024, 1.8023492926680977 ], [ 1.2245900466202206, 4.825375163373839, -1.7931854741392819 ] ]
[ [ 4.89837978, 0, 2.999392559e-16 ], [ 9.135952799e-16, 5.68112936, -3.274840818 ], [ 0, 0, 6.56161402 ] ]
8
[ 90, 90, 47, 47, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag3 Tl1
4
79.83
-10.477
0.094
0.094
0
A3B_cP4_221_c_a:Ag-Tl
-10.476591
0
0
0.095952
0.095952
0.09593
0
A3B_cP4_221_c_a:Ag-Tl
true
Ag3 Tl1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.24711007, "alpha": 90, "b": 4.24711007, "beta": 90, "c": 4.24711007, "gamma": 90, "matrix": [ [ 4.24711007, 0, 2.6006048760000004e-16 ], [ 6.829873899e-16, 4.24711007, 2.6006048760000004e-16 ], [ 0, 0, 4.24711007 ] ], "volume": 76.6091333781 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Tl", "species": [ { "element": "Tl", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0, 0.5, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.41493695e-16, 2.123555035, 2.123555035 ] }, { "abc": [ 0.5, 0.5, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.123555035, 2.123555035, 2.6006048760000004e-16 ] }, { "abc": [ 0.5, 0, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.123555035, 0, 2.123555035 ] } ] }
wbm-1-126
wbm-1-126
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ] ]
[ [ 0, 0, 0 ], [ 3.4149369495e-16, 2.123555035, 2.123555035 ], [ 2.1235550350000003, 2.123555035, 2.6006048760000004e-16 ], [ 2.123555035, 0, 2.123555035 ] ]
[ [ 0, 0, 0 ], [ 3.4149369495e-16, 2.123555035, 2.123555035 ], [ 2.1235550350000003, 2.123555035, 2.6006048760000004e-16 ], [ 2.123555035, 0, 2.123555035 ] ]
[ [ 4.24711007, 0, 2.6006048760000004e-16 ], [ 6.829873899e-16, 4.24711007, 2.6006048760000004e-16 ], [ 0, 0, 4.24711007 ] ]
4
[ 81, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag6 Tm2
8
162.12
-27.703
-0.222
0.052
0
A3B_hP8_194_h_c:Ag-Tm
-27.703434
0
0
-0.219529
-0.219529
0.033619
1.59623
A3B_hP8_194_h_c:Ag-Tm
true
Ag6 Tm2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.86305275, "alpha": 119.86907018, "b": 6.95412046, "beta": 89.99997422, "c": 6.98190566, "gamma": 90.00000432, "matrix": [ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ], "volume": 204.7515826446 }, "sites": [ { "abc": [ 0.250001, 0.6671400000000001, 0.334277 ], "label": "Tm", "species": [ { "element": "Tm", "occu": 1 } ], "xyz": [ 1.2157687404, 4.0231042938, 0.023392445600000002 ] }, { "abc": [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], "label": "Tm", "species": [ { "element": "Tm", "occu": 1 } ], "xyz": [ 3.6472947697, 2.0072705808, 3.4952194861 ] }, { "abc": [ 0.75, 0.8587859999999999, 0.14060699999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472904505, 5.1788015171, -1.9925176007 ] }, { "abc": [ 0.75, 0.28182199999999996, 0.14060499999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472898539000003, 1.6994923079, 0.0056614723 ] }, { "abc": [ 0.75, 0.8592989999999999, 0.718602 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.647290451, 5.1818950994, 2.041212294 ] }, { "abc": [ 0.249999, 0.141215, 0.859394 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584705, 0.8515793879, 5.5111400329 ] }, { "abc": [ 0.249999, 0.718178, 0.8593959999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.215759067, 4.3308825667, 3.5129644232 ] }, { "abc": [ 0.249999, 0.14070000000000002, 0.281397 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584699, 0.8484737449, 1.4774031009000002 ] } ] }
wbm-1-127
wbm-1-127
[ [ 0.250001, 0.6671400000000001, 0.334277 ], [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], [ 0.75, 0.8587859999999999, 0.14060699999999998 ], [ 0.75, 0.28182199999999996, 0.14060499999999998 ], [ 0.75, 0.8592989999999999, 0.718602 ], [ 0.249999, 0.141215, 0.859394 ], [ 0.249999, 0.718178, 0.8593959999999999 ], [ 0.249999, 0.14070000000000002, 0.281397 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ]
8
[ 69, 69, 47, 47, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag6 U2
8
159.93
-38.25
0.164
0.164
0
A3B_hP8_194_h_c:Ag-U
-38.250321
0
0
0.16601
0.16601
0.165979
1.20404
A3B_mP8_11_3e_e:Ag-U
true
Ag6 U2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.86305275, "alpha": 119.86907018, "b": 6.95412046, "beta": 89.99997422, "c": 6.98190566, "gamma": 90.00000432, "matrix": [ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ], "volume": 204.7515826446 }, "sites": [ { "abc": [ 0.250001, 0.6671400000000001, 0.334277 ], "label": "U", "species": [ { "element": "U", "occu": 1 } ], "xyz": [ 1.2157687404, 4.0231042938, 0.023392445600000002 ] }, { "abc": [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], "label": "U", "species": [ { "element": "U", "occu": 1 } ], "xyz": [ 3.6472947697, 2.0072705808, 3.4952194861 ] }, { "abc": [ 0.75, 0.8587859999999999, 0.14060699999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472904505, 5.1788015171, -1.9925176007 ] }, { "abc": [ 0.75, 0.28182199999999996, 0.14060499999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472898539000003, 1.6994923079, 0.0056614723 ] }, { "abc": [ 0.75, 0.8592989999999999, 0.718602 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.647290451, 5.1818950994, 2.041212294 ] }, { "abc": [ 0.249999, 0.141215, 0.859394 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584705, 0.8515793879, 5.5111400329 ] }, { "abc": [ 0.249999, 0.718178, 0.8593959999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.215759067, 4.3308825667, 3.5129644232 ] }, { "abc": [ 0.249999, 0.14070000000000002, 0.281397 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584699, 0.8484737449, 1.4774031009000002 ] } ] }
wbm-1-128
wbm-1-128
[ [ 0.250001, 0.6671400000000001, 0.334277 ], [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], [ 0.75, 0.8587859999999999, 0.14060699999999998 ], [ 0.75, 0.28182199999999996, 0.14060499999999998 ], [ 0.75, 0.8592989999999999, 0.718602 ], [ 0.249999, 0.141215, 0.859394 ], [ 0.249999, 0.718178, 0.8593959999999999 ], [ 0.249999, 0.14070000000000002, 0.281397 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ]
8
[ 92, 92, 47, 47, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag6 Yb2
8
165.21
-22.325
-0.287
0.032
0
A3B_hP8_194_h_c:Ag-Yb
-22.324788
0
0
-0.281248
-0.281248
0.027568
1.449291
A3B_hP8_194_h_c:Ag-Yb
false
Ag6 Yb2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.86305275, "alpha": 119.86907018, "b": 6.95412046, "beta": 89.99997422, "c": 6.98190566, "gamma": 90.00000432, "matrix": [ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ], "volume": 204.7515826446 }, "sites": [ { "abc": [ 0.250001, 0.6671400000000001, 0.334277 ], "label": "Yb", "species": [ { "element": "Yb", "occu": 1 } ], "xyz": [ 1.2157687404, 4.0231042938, 0.023392445600000002 ] }, { "abc": [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], "label": "Yb", "species": [ { "element": "Yb", "occu": 1 } ], "xyz": [ 3.6472947697, 2.0072705808, 3.4952194861 ] }, { "abc": [ 0.75, 0.8587859999999999, 0.14060699999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472904505, 5.1788015171, -1.9925176007 ] }, { "abc": [ 0.75, 0.28182199999999996, 0.14060499999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6472898539000003, 1.6994923079, 0.0056614723 ] }, { "abc": [ 0.75, 0.8592989999999999, 0.718602 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.647290451, 5.1818950994, 2.041212294 ] }, { "abc": [ 0.249999, 0.141215, 0.859394 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584705, 0.8515793879, 5.5111400329 ] }, { "abc": [ 0.249999, 0.718178, 0.8593959999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.215759067, 4.3308825667, 3.5129644232 ] }, { "abc": [ 0.249999, 0.14070000000000002, 0.281397 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2157584699, 0.8484737449, 1.4774031009000002 ] } ] }
wbm-1-129
wbm-1-129
[ [ 0.250001, 0.6671400000000001, 0.334277 ], [ 0.7500009999999999, 0.33286000000000004, 0.6657219999999999 ], [ 0.75, 0.8587859999999999, 0.14060699999999998 ], [ 0.75, 0.28182199999999996, 0.14060499999999998 ], [ 0.75, 0.8592989999999999, 0.718602 ], [ 0.249999, 0.141215, 0.859394 ], [ 0.249999, 0.718178, 0.8593959999999999 ], [ 0.249999, 0.14070000000000002, 0.281397 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 1.2157687403755097, 4.023104293840644, 0.023392445572677723 ], [ 3.647294769729989, 2.0072705807593563, 3.4952194861260377 ], [ 3.6472904504847237, 5.178801517058235, -1.992517600692897 ], [ 3.6472898539039478, 1.6994923079095208, 0.005661472300640957 ], [ 3.6472904510151656, 5.181895099368905, 2.0412122940354043 ], [ 1.2157584704635598, 0.851579387916639, 5.511140032907434 ], [ 1.2157590670433018, 4.330882566690478, 3.5129644232028308 ], [ 1.2157584699310497, 0.8484737448562201, 1.4774031009456818 ] ]
[ [ 4.86305275, 0, 0.0000021881000000000003 ], [ 0.000001034, 6.0303748746, -3.4632889345 ], [ 0, 0, 6.98190566 ] ]
8
[ 70, 70, 47, 47, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag4 Ce1
5
106.29
-17.742
-0.099
0.011
0
A4B_tI10_87_h_a:Ag-Ce
-17.742258
0
0
-0.095752
-0.095752
0.015228
1.18021
A4B_tI10_87_h_a:Ag-Ce
true
Ag4 Ce1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.1187385, "alpha": 80.8272396, "b": 5.15791166, "beta": 66.4678147, "c": 5.15791168, "gamma": 66.46781468, "matrix": [ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ], "volume": 92.1075595882 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Ce", "species": [ { "element": "Ce", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.200118, 0.399464, 0.2003 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5099165545000002, 1.8890487849, 1.6906688951 ] }, { "abc": [ 0.599582, 0.2003, 0.600536 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.6423332044, 0.9472104410000001, 4.2481961828 ] }, { "abc": [ 0.400418, 0.7997000000000001, 0.399464 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.0219779949, 3.7817483259999998, 3.3764124585 ] }, { "abc": [ 0.799882, 0.600536, 0.7997000000000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1543946448, 2.8399099822, 5.9339397462 ] } ] }
wbm-1-130
wbm-1-130
[ [ 0, 0, 0 ], [ 0.200118, 0.399464, 0.2003 ], [ 0.599582, 0.2003, 0.600536 ], [ 0.400418, 0.7997000000000001, 0.399464 ], [ 0.799882, 0.600536, 0.7997000000000001 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ]
5
[ 58, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag4 Dy1
5
98.92
-17.056
-0.227
-0.001
0
A4B_tI10_87_h_a:Ag-Dy
-17.055517
0
0
-0.223663
-0.223663
0.002432
0.101307
A4B_tI10_87_h_a:Ag-Dy
true
Ag4 Dy1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.1187385, "alpha": 80.8272396, "b": 5.15791166, "beta": 66.4678147, "c": 5.15791168, "gamma": 66.46781468, "matrix": [ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ], "volume": 92.1075595882 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Dy", "species": [ { "element": "Dy", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.200118, 0.399464, 0.2003 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5099165545000002, 1.8890487849, 1.6906688951 ] }, { "abc": [ 0.599582, 0.2003, 0.600536 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.6423332044, 0.9472104410000001, 4.2481961828 ] }, { "abc": [ 0.400418, 0.7997000000000001, 0.399464 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.0219779949, 3.7817483259999998, 3.3764124585 ] }, { "abc": [ 0.799882, 0.600536, 0.7997000000000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1543946448, 2.8399099822, 5.9339397462 ] } ] }
wbm-1-131
wbm-1-131
[ [ 0, 0, 0 ], [ 0.200118, 0.399464, 0.2003 ], [ 0.599582, 0.2003, 0.600536 ], [ 0.400418, 0.7997000000000001, 0.399464 ], [ 0.799882, 0.600536, 0.7997000000000001 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ]
5
[ 66, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag4 Er1
5
97.54
-17.044
-0.232
-0.013
0
A4B_tI10_87_h_a:Ag-Er
-17.043751
0
0
-0.22913
-0.22913
-0.010668
0.090489
A4B_tI10_87_h_a:Ag-Er
true
Ag4 Er1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.1187385, "alpha": 80.8272396, "b": 5.15791166, "beta": 66.4678147, "c": 5.15791168, "gamma": 66.46781468, "matrix": [ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ], "volume": 92.1075595882 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Er", "species": [ { "element": "Er", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.200118, 0.399464, 0.2003 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5099165545000002, 1.8890487849, 1.6906688951 ] }, { "abc": [ 0.599582, 0.2003, 0.600536 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.6423332044, 0.9472104410000001, 4.2481961828 ] }, { "abc": [ 0.400418, 0.7997000000000001, 0.399464 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.0219779949, 3.7817483259999998, 3.3764124585 ] }, { "abc": [ 0.799882, 0.600536, 0.7997000000000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1543946448, 2.8399099822, 5.9339397462 ] } ] }
wbm-1-132
wbm-1-132
[ [ 0, 0, 0 ], [ 0.200118, 0.399464, 0.2003 ], [ 0.599582, 0.2003, 0.600536 ], [ 0.400418, 0.7997000000000001, 0.399464 ], [ 0.799882, 0.600536, 0.7997000000000001 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ]
5
[ 68, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag4 Hf1
5
91.19
-21.327
-0.012
0.036
0
A4B_tI10_87_h_a:Ag-Hf
-21.327475
0
0
-0.007975
-0.007975
0.038033
0.253303
A4B_tI10_87_h_a:Ag-Hf
true
Ag4 Hf1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.1187385, "alpha": 80.8272396, "b": 5.15791166, "beta": 66.4678147, "c": 5.15791168, "gamma": 66.46781468, "matrix": [ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ], "volume": 92.1075595882 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Hf", "species": [ { "element": "Hf", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.200118, 0.399464, 0.2003 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5099165545000002, 1.8890487849, 1.6906688951 ] }, { "abc": [ 0.599582, 0.2003, 0.600536 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.6423332044, 0.9472104410000001, 4.2481961828 ] }, { "abc": [ 0.400418, 0.7997000000000001, 0.399464 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.0219779949, 3.7817483259999998, 3.3764124585 ] }, { "abc": [ 0.799882, 0.600536, 0.7997000000000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1543946448, 2.8399099822, 5.9339397462 ] } ] }
wbm-1-133
wbm-1-133
[ [ 0, 0, 0 ], [ 0.200118, 0.399464, 0.2003 ], [ 0.599582, 0.2003, 0.600536 ], [ 0.400418, 0.7997000000000001, 0.399464 ], [ 0.799882, 0.600536, 0.7997000000000001 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ]
5
[ 72, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag4 Ho1
5
98.18
-17.044
-0.23
-0.007
0
A4B_tI10_87_h_a:Ag-Ho
-17.04441
0
0
-0.226322
-0.226322
-0.004238
0.091608
A4B_tI10_87_h_a:Ag-Ho
true
Ag4 Ho1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.1187385, "alpha": 80.8272396, "b": 5.15791166, "beta": 66.4678147, "c": 5.15791168, "gamma": 66.46781468, "matrix": [ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ], "volume": 92.1075595882 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Ho", "species": [ { "element": "Ho", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.200118, 0.399464, 0.2003 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5099165545000002, 1.8890487849, 1.6906688951 ] }, { "abc": [ 0.599582, 0.2003, 0.600536 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.6423332044, 0.9472104410000001, 4.2481961828 ] }, { "abc": [ 0.400418, 0.7997000000000001, 0.399464 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.0219779949, 3.7817483259999998, 3.3764124585 ] }, { "abc": [ 0.799882, 0.600536, 0.7997000000000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1543946448, 2.8399099822, 5.9339397462 ] } ] }
wbm-1-134
wbm-1-134
[ [ 0, 0, 0 ], [ 0.200118, 0.399464, 0.2003 ], [ 0.599582, 0.2003, 0.600536 ], [ 0.400418, 0.7997000000000001, 0.399464 ], [ 0.799882, 0.600536, 0.7997000000000001 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ]
5
[ 67, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag4 In1
5
93.91
-14.239
-0.034
0.001
0
A4B_tI10_87_h_a:Ag-In
-14.238947
0
0
-0.031369
-0.031369
-0.004705
0.147238
A4B_tI10_87_h_a:Ag-In
true
Ag4 In1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.1187385, "alpha": 80.8272396, "b": 5.15791166, "beta": 66.4678147, "c": 5.15791168, "gamma": 66.46781468, "matrix": [ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ], "volume": 92.1075595882 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.200118, 0.399464, 0.2003 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5099165545000002, 1.8890487849, 1.6906688951 ] }, { "abc": [ 0.599582, 0.2003, 0.600536 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.6423332044, 0.9472104410000001, 4.2481961828 ] }, { "abc": [ 0.400418, 0.7997000000000001, 0.399464 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.0219779949, 3.7817483259999998, 3.3764124585 ] }, { "abc": [ 0.799882, 0.600536, 0.7997000000000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1543946448, 2.8399099822, 5.9339397462 ] } ] }
wbm-1-135
wbm-1-135
[ [ 0, 0, 0 ], [ 0.200118, 0.399464, 0.2003 ], [ 0.599582, 0.2003, 0.600536 ], [ 0.400418, 0.7997000000000001, 0.399464 ], [ 0.799882, 0.600536, 0.7997000000000001 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ]
5
[ 49, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag4 La1
5
111.87
-17.249
-0.201
0.016
0
A4B_tI10_87_h_a:Ag-La
-17.24875
0
0
-0.19647
-0.19647
-0.016054
1.802372
A4B_tI10_87_h_a:Ag-La
true
Ag4 La1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.1187385, "alpha": 80.8272396, "b": 5.15791166, "beta": 66.4678147, "c": 5.15791168, "gamma": 66.46781468, "matrix": [ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ], "volume": 92.1075595882 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.200118, 0.399464, 0.2003 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5099165545000002, 1.8890487849, 1.6906688951 ] }, { "abc": [ 0.599582, 0.2003, 0.600536 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.6423332044, 0.9472104410000001, 4.2481961828 ] }, { "abc": [ 0.400418, 0.7997000000000001, 0.399464 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.0219779949, 3.7817483259999998, 3.3764124585 ] }, { "abc": [ 0.799882, 0.600536, 0.7997000000000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1543946448, 2.8399099822, 5.9339397462 ] } ] }
wbm-1-136
wbm-1-136
[ [ 0, 0, 0 ], [ 0.200118, 0.399464, 0.2003 ], [ 0.599582, 0.2003, 0.600536 ], [ 0.400418, 0.7997000000000001, 0.399464 ], [ 0.799882, 0.600536, 0.7997000000000001 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ]
5
[ 57, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag4 Nd1
5
105.62
-17.062
-0.197
0.035
0
A4B_tI10_87_h_a:Ag-Nd
-17.062398
0
0
-0.19278
-0.19278
0.037933
0.833535
A4B_tI10_87_h_a:Ag-Nd
true
Ag4 Nd1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.1187385, "alpha": 80.8272396, "b": 5.15791166, "beta": 66.4678147, "c": 5.15791168, "gamma": 66.46781468, "matrix": [ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ], "volume": 92.1075595882 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Nd", "species": [ { "element": "Nd", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.200118, 0.399464, 0.2003 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5099165545000002, 1.8890487849, 1.6906688951 ] }, { "abc": [ 0.599582, 0.2003, 0.600536 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.6423332044, 0.9472104410000001, 4.2481961828 ] }, { "abc": [ 0.400418, 0.7997000000000001, 0.399464 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.0219779949, 3.7817483259999998, 3.3764124585 ] }, { "abc": [ 0.799882, 0.600536, 0.7997000000000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1543946448, 2.8399099822, 5.9339397462 ] } ] }
wbm-1-137
wbm-1-137
[ [ 0, 0, 0 ], [ 0.200118, 0.399464, 0.2003 ], [ 0.599582, 0.2003, 0.600536 ], [ 0.400418, 0.7997000000000001, 0.399464 ], [ 0.799882, 0.600536, 0.7997000000000001 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ]
5
[ 60, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag4 Pr1
5
107.46
-17.048
-0.19
0.039
0
A4B_tI10_87_h_a:Ag-Pr
-17.047604
0
0
-0.187261
-0.187261
0.041842
1.172557
A4B_tI10_87_h_a:Ag-Pr
true
Ag4 Pr1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.1187385, "alpha": 80.8272396, "b": 5.15791166, "beta": 66.4678147, "c": 5.15791168, "gamma": 66.46781468, "matrix": [ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ], "volume": 92.1075595882 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Pr", "species": [ { "element": "Pr", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.200118, 0.399464, 0.2003 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5099165545000002, 1.8890487849, 1.6906688951 ] }, { "abc": [ 0.599582, 0.2003, 0.600536 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.6423332044, 0.9472104410000001, 4.2481961828 ] }, { "abc": [ 0.400418, 0.7997000000000001, 0.399464 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.0219779949, 3.7817483259999998, 3.3764124585 ] }, { "abc": [ 0.799882, 0.600536, 0.7997000000000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1543946448, 2.8399099822, 5.9339397462 ] } ] }
wbm-1-138
wbm-1-138
[ [ 0, 0, 0 ], [ 0.200118, 0.399464, 0.2003 ], [ 0.599582, 0.2003, 0.600536 ], [ 0.400418, 0.7997000000000001, 0.399464 ], [ 0.799882, 0.600536, 0.7997000000000001 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ]
5
[ 59, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag4 Sm1
5
102.86
-17.067
-0.207
0.025
0
A4B_tI10_87_h_a:Ag-Sm
-17.066993
0
0
-0.203599
-0.203599
0.025076
0.474602
A4B_tI10_87_h_a:Ag-Sm
true
Ag4 Sm1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.1187385, "alpha": 80.8272396, "b": 5.15791166, "beta": 66.4678147, "c": 5.15791168, "gamma": 66.46781468, "matrix": [ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ], "volume": 92.1075595882 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Sm", "species": [ { "element": "Sm", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.200118, 0.399464, 0.2003 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5099165545000002, 1.8890487849, 1.6906688951 ] }, { "abc": [ 0.599582, 0.2003, 0.600536 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.6423332044, 0.9472104410000001, 4.2481961828 ] }, { "abc": [ 0.400418, 0.7997000000000001, 0.399464 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.0219779949, 3.7817483259999998, 3.3764124585 ] }, { "abc": [ 0.799882, 0.600536, 0.7997000000000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1543946448, 2.8399099822, 5.9339397462 ] } ] }
wbm-1-139
wbm-1-139
[ [ 0, 0, 0 ], [ 0.200118, 0.399464, 0.2003 ], [ 0.599582, 0.2003, 0.600536 ], [ 0.400418, 0.7997000000000001, 0.399464 ], [ 0.799882, 0.600536, 0.7997000000000001 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ]
5
[ 62, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag4 Tb1
5
99.64
-17.068
-0.225
0.006
0
A4B_tI10_87_h_a:Ag-Tb
-17.067973
0
0
-0.220635
-0.220635
0.008649
0.161551
A4B_tI10_87_h_a:Ag-Tb
true
Ag4 Tb1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.1187385, "alpha": 80.8272396, "b": 5.15791166, "beta": 66.4678147, "c": 5.15791168, "gamma": 66.46781468, "matrix": [ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ], "volume": 92.1075595882 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Tb", "species": [ { "element": "Tb", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.200118, 0.399464, 0.2003 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5099165545000002, 1.8890487849, 1.6906688951 ] }, { "abc": [ 0.599582, 0.2003, 0.600536 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.6423332044, 0.9472104410000001, 4.2481961828 ] }, { "abc": [ 0.400418, 0.7997000000000001, 0.399464 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.0219779949, 3.7817483259999998, 3.3764124585 ] }, { "abc": [ 0.799882, 0.600536, 0.7997000000000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1543946448, 2.8399099822, 5.9339397462 ] } ] }
wbm-1-140
wbm-1-140
[ [ 0, 0, 0 ], [ 0.200118, 0.399464, 0.2003 ], [ 0.599582, 0.2003, 0.600536 ], [ 0.400418, 0.7997000000000001, 0.399464 ], [ 0.799882, 0.600536, 0.7997000000000001 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ]
5
[ 65, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag4 Th1
5
106.79
-19.095
-0.074
0.067
0
A4B_tI10_87_h_a:Ag-Th
-19.095005
0
0
-0.070141
-0.070141
0.067594
1.414611
A4B_tI10_87_h_a:Ag-Th
true
Ag4 Th1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.1187385, "alpha": 80.8272396, "b": 5.15791166, "beta": 66.4678147, "c": 5.15791168, "gamma": 66.46781468, "matrix": [ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ], "volume": 92.1075595882 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Th", "species": [ { "element": "Th", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.200118, 0.399464, 0.2003 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5099165545000002, 1.8890487849, 1.6906688951 ] }, { "abc": [ 0.599582, 0.2003, 0.600536 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.6423332044, 0.9472104410000001, 4.2481961828 ] }, { "abc": [ 0.400418, 0.7997000000000001, 0.399464 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.0219779949, 3.7817483259999998, 3.3764124585 ] }, { "abc": [ 0.799882, 0.600536, 0.7997000000000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1543946448, 2.8399099822, 5.9339397462 ] } ] }
wbm-1-141
wbm-1-141
[ [ 0, 0, 0 ], [ 0.200118, 0.399464, 0.2003 ], [ 0.599582, 0.2003, 0.600536 ], [ 0.400418, 0.7997000000000001, 0.399464 ], [ 0.799882, 0.600536, 0.7997000000000001 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ]
5
[ 90, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag4 Tm1
5
96.84
-16.965
-0.234
-0.03
0
A4B_tI10_87_h_a:Ag-Tm
-16.964676
0
0
-0.231695
-0.231695
-0.029185
0.102513
A4B_tI10_87_h_a:Ag-Tm
true
Ag4 Tm1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.1187385, "alpha": 80.8272396, "b": 5.15791166, "beta": 66.4678147, "c": 5.15791168, "gamma": 66.46781468, "matrix": [ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ], "volume": 92.1075595882 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Tm", "species": [ { "element": "Tm", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.200118, 0.399464, 0.2003 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5099165545000002, 1.8890487849, 1.6906688951 ] }, { "abc": [ 0.599582, 0.2003, 0.600536 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.6423332044, 0.9472104410000001, 4.2481961828 ] }, { "abc": [ 0.400418, 0.7997000000000001, 0.399464 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.0219779949, 3.7817483259999998, 3.3764124585 ] }, { "abc": [ 0.799882, 0.600536, 0.7997000000000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1543946448, 2.8399099822, 5.9339397462 ] } ] }
wbm-1-142
wbm-1-142
[ [ 0, 0, 0 ], [ 0.200118, 0.399464, 0.2003 ], [ 0.599582, 0.2003, 0.600536 ], [ 0.400418, 0.7997000000000001, 0.399464 ], [ 0.799882, 0.600536, 0.7997000000000001 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ]
5
[ 69, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag4 U1
5
103.21
-21.285
0.265
0.265
0
A4B_tI10_87_h_a:Ag-U
-21.284837
0
0
0.267393
0.267393
0.267359
0.761356
A4B_tI10_87_h_a:Ag-U
true
Ag4 U1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.1187385, "alpha": 80.8272396, "b": 5.15791166, "beta": 66.4678147, "c": 5.15791168, "gamma": 66.46781468, "matrix": [ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ], "volume": 92.1075595882 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "U", "species": [ { "element": "U", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.200118, 0.399464, 0.2003 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5099165545000002, 1.8890487849, 1.6906688951 ] }, { "abc": [ 0.599582, 0.2003, 0.600536 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.6423332044, 0.9472104410000001, 4.2481961828 ] }, { "abc": [ 0.400418, 0.7997000000000001, 0.399464 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.0219779949, 3.7817483259999998, 3.3764124585 ] }, { "abc": [ 0.799882, 0.600536, 0.7997000000000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1543946448, 2.8399099822, 5.9339397462 ] } ] }
wbm-1-143
wbm-1-143
[ [ 0, 0, 0 ], [ 0.200118, 0.399464, 0.2003 ], [ 0.599582, 0.2003, 0.600536 ], [ 0.400418, 0.7997000000000001, 0.399464 ], [ 0.799882, 0.600536, 0.7997000000000001 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ]
5
[ 92, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag4 Yb1
5
98.45
-14.129
-0.257
0.014
0
A4B_tI10_87_h_a:Ag-Yb
-14.129125
0
0
-0.251825
-0.251825
0.009688
0.185252
A4B_tI10_87_h_a:Ag-Yb
true
Ag4 Yb1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.1187385, "alpha": 80.8272396, "b": 5.15791166, "beta": 66.4678147, "c": 5.15791168, "gamma": 66.46781468, "matrix": [ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ], "volume": 92.1075595882 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Yb", "species": [ { "element": "Yb", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.200118, 0.399464, 0.2003 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5099165545000002, 1.8890487849, 1.6906688951 ] }, { "abc": [ 0.599582, 0.2003, 0.600536 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.6423332044, 0.9472104410000001, 4.2481961828 ] }, { "abc": [ 0.400418, 0.7997000000000001, 0.399464 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.0219779949, 3.7817483259999998, 3.3764124585 ] }, { "abc": [ 0.799882, 0.600536, 0.7997000000000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1543946448, 2.8399099822, 5.9339397462 ] } ] }
wbm-1-144
wbm-1-144
[ [ 0, 0, 0 ], [ 0.200118, 0.399464, 0.2003 ], [ 0.599582, 0.2003, 0.600536 ], [ 0.400418, 0.7997000000000001, 0.399464 ], [ 0.799882, 0.600536, 0.7997000000000001 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 0, 0, 0 ], [ 1.509916554502805, 1.8890487849408344, 1.690668895151239 ], [ 2.6423332043560843, 0.94721044105013, 4.2481961828529995 ], [ 3.0219779948439154, 3.7817483260498705, 3.3764124585469997 ], [ 4.154394644697195, 2.8399099821591656, 5.933939746248761 ] ]
[ [ 3.7762074703, 0, 1.6444646460999999 ], [ 1.8881037289, 4.7289587671, 0.8222323153000001 ], [ 0, 0, 5.15791168 ] ]
5
[ 70, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag5 Sn1
6
113.15
-18.242
-0.015
0.002
0
A5B_hR18_155_cd_b:Ag-Sn
-18.242257
0
0
-0.011609
-0.011609
0.001145
0.146116
A5B_hR18_155_cd_b:Ag-Sn
true
Ag5 Sn1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.20375747, "alpha": 63.01171376, "b": 5.20375747, "beta": 63.01171367, "c": 5.73343098, "gamma": 59.99999996, "matrix": [ [ 4.6370647447, 0, 2.3615084924 ], [ 1.7172120761, 4.3073834479, 2.3615084851 ], [ 0, 0, 5.73343098 ] ], "volume": 114.5173483458 }, "sites": [ { "abc": [ 0.670045, 0.670045, 0.989865 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.2576514124, 2.8861407423000003, 8.8399565677 ] }, { "abc": [ 0.827548, 0.172485, 0.49995599999999996 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1335869803, 0.7429590340000001, 5.22804964 ] }, { "abc": [ 0.172485, 0.500011, 0.49995599999999996 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.6584490399, 2.1537391052, 4.4545682305 ] }, { "abc": [ 0.500011, 0.827548, 0.49995599999999996 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.7396587992, 3.5645665575, 6.0015050657 ] }, { "abc": [ 0.32998099999999997, 0.32998099999999997, 0.010057 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.0967906196, 1.4213546975, 1.6161669806 ] }, { "abc": [ 0.000031, 0.000031, 0.999907 ], "label": "Sn", "species": [ { "element": "Sn", "occu": 1 } ], "xyz": [ 0.00019698260000000002, 0.0001335289, 5.7330441844 ] } ] }
wbm-1-145
wbm-1-145
[ [ 0.670045, 0.670045, 0.989865 ], [ 0.827548, 0.172485, 0.49995599999999996 ], [ 0.172485, 0.500011, 0.49995599999999996 ], [ 0.500011, 0.827548, 0.49995599999999996 ], [ 0.32998099999999997, 0.32998099999999997, 0.010057 ], [ 0.000031, 0.000031, 0.999907 ] ]
[ [ 4.257651412392936, 2.886140742348156, 8.839956567706686 ], [ 4.133586980293104, 0.7429590340110316, 5.228049639957988 ], [ 1.6584490398724165, 2.153739105167927, 4.45456823049183 ], [ 3.7396587992145944, 3.5645665575427494, 6.001505065657831 ], [ 2.0967906196044046, 1.42135469752149, 1.6161669806182872 ], [ 0.00019698258144480003, 0.00013352888688490002, 5.733044184445162 ] ]
[ [ 4.257651412392936, 2.886140742348156, 8.839956567706686 ], [ 4.133586980293104, 0.7429590340110316, 5.228049639957988 ], [ 1.6584490398724165, 2.153739105167927, 4.45456823049183 ], [ 3.7396587992145944, 3.5645665575427494, 6.001505065657831 ], [ 2.0967906196044046, 1.42135469752149, 1.6161669806182872 ], [ 0.00019698258144480003, 0.00013352888688490002, 5.733044184445162 ] ]
[ [ 4.6370647447, 0, 2.3615084924 ], [ 1.7172120761, 4.3073834479, 2.3615084851 ], [ 0, 0, 5.73343098 ] ]
6
[ 47, 47, 47, 47, 47, 50 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 5, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Au2 Bi1
4
85.32
-13.009
0.066
0.116
0
AB2C_cF16_225_a_c_b:Ag-Au-Bi
-13.009007
0
0
0.052973
0.052973
0.106337
0.327479
AB2C_cF16_225_a_c_b:Ag-Au-Bi
true
Ag1 Au2 Bi1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.20031237, "alpha": 60, "b": 5.20031237, "beta": 60, "c": 5.20031237, "gamma": 60, "matrix": [ [ 4.50360262, 0, 2.600156185 ], [ 1.5012008733000002, 4.2460372699, 2.600156185 ], [ 0, 0, 5.20031237 ] ], "volume": 99.4427890655 }, "sites": [ { "abc": [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.5035906104, 3.1845321984, 7.800468555 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Bi", "species": [ { "element": "Bi", "occu": 1 } ], "xyz": [ 1.5012008733000002, 1.0615093175, 2.600156185 ] }, { "abc": [ 0.49999699999999997, 0.500001, 0.500001 ], "label": "Au", "species": [ { "element": "Au", "occu": 1 } ], "xyz": [ 3.0023897371, 2.123022881, 5.20031237 ] }, { "abc": [ 0, 0, 0 ], "label": "Au", "species": [ { "element": "Au", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-146
wbm-1-146
[ [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ], [ 0.25, 0.25, 0.25 ], [ 0.49999699999999997, 0.500001, 0.500001 ], [ 0, 0, 0 ] ]
[ [ 4.503590610368013, 3.1845321984622696, 7.800468554999998 ], [ 1.501200873325, 1.061509317475, 2.600156185 ], [ 3.0023897370430133, 2.1230228809872704, 5.20031237 ], [ 0, 0, 0 ] ]
[ [ 4.503590610368013, 3.1845321984622696, 7.800468554999998 ], [ 1.501200873325, 1.061509317475, 2.600156185 ], [ 3.0023897370430133, 2.1230228809872704, 5.20031237 ], [ 0, 0, 0 ] ]
[ [ 4.50360262, 0, 2.600156185 ], [ 1.5012008733000002, 4.2460372699, 2.600156185 ], [ 0, 0, 5.20031237 ] ]
4
[ 47, 83, 79, 79 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Au2 Hg1
4
76.41
-9.52
0.04
0.071
0
AB2C_cF16_225_a_c_b:Ag-Au-Hg
-9.519774
0
0
0.041081
0.041081
0.071027
0.0894
AB2C_cF16_225_a_c_b:Ag-Au-Hg
true
Ag1 Au2 Hg1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.6205859799999995, "alpha": 60.00000435, "b": 4.62058628, "beta": 59.9999885, "c": 4.62058633, "gamma": 59.99999539, "matrix": [ [ 4.0015443753, 0, 2.3102937932 ], [ 1.3338486043, 3.7726930014, 2.3102928362 ], [ 0, 0, 4.62058633 ] ], "volume": 69.7551364719 }, "sites": [ { "abc": [ 0.250003, 0.249999, 0.249999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.3338589157, 0.9431694777, 2.3102932398 ] }, { "abc": [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ], "label": "Hg", "species": [ { "element": "Hg", "occu": 1 } ], "xyz": [ 4.001534064, 2.8295235237, 6.9308797195 ] }, { "abc": [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], "label": "Au", "species": [ { "element": "Au", "occu": 1 } ], "xyz": [ 2.6677071606, 1.886342728, 4.6205864797 ] }, { "abc": [ 0, 0, 0 ], "label": "Au", "species": [ { "element": "Au", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-147
wbm-1-147
[ [ 0.250003, 0.249999, 0.249999 ], [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ], [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], [ 0, 0, 0 ] ]
[ [ 1.3338589156845215, 0.9431694776569985, 2.3102932398522134 ], [ 4.001534063915478, 2.829523523743001, 6.930879719547786 ], [ 2.6677071605845213, 1.8863427280069984, 4.620586479702213 ], [ 0, 0, 0 ] ]
[ [ 1.3338589156845215, 0.9431694776569985, 2.3102932398522134 ], [ 4.001534063915478, 2.829523523743001, 6.930879719547786 ], [ 2.6677071605845213, 1.8863427280069984, 4.620586479702213 ], [ 0, 0, 0 ] ]
[ [ 4.0015443753, 0, 2.3102937932 ], [ 1.3338486043, 3.7726930014, 2.3102928362 ], [ 0, 0, 4.62058633 ] ]
4
[ 47, 80, 79, 79 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Au2 Pu1
4
86.13
-24.866
-0.29
0.075
0
AB2C_cF16_225_a_c_b:Ag-Au-Pu
-24.866348
0
0
-0.304537
-0.304537
-0.058823
0.13855
AB2C_cF16_225_a_c_b:Ag-Au-Pu
false
Ag1 Au2 Pu1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.20031237, "alpha": 60, "b": 5.20031237, "beta": 60, "c": 5.20031237, "gamma": 60, "matrix": [ [ 4.50360262, 0, 2.600156185 ], [ 1.5012008733000002, 4.2460372699, 2.600156185 ], [ 0, 0, 5.20031237 ] ], "volume": 99.4427890655 }, "sites": [ { "abc": [ 0.25, 0.25, 0.25 ], "label": "Pu", "species": [ { "element": "Pu", "occu": 1 } ], "xyz": [ 1.5012008733000002, 1.0615093175, 2.600156185 ] }, { "abc": [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.5035906104, 3.1845321984, 7.800468555 ] }, { "abc": [ 0.49999699999999997, 0.500001, 0.500001 ], "label": "Au", "species": [ { "element": "Au", "occu": 1 } ], "xyz": [ 3.0023897371, 2.123022881, 5.20031237 ] }, { "abc": [ 0, 0, 0 ], "label": "Au", "species": [ { "element": "Au", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-148
wbm-1-148
[ [ 0.25, 0.25, 0.25 ], [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ], [ 0.49999699999999997, 0.500001, 0.500001 ], [ 0, 0, 0 ] ]
[ [ 1.501200873325, 1.061509317475, 2.600156185 ], [ 4.503590610368013, 3.1845321984622696, 7.800468554999998 ], [ 3.0023897370430133, 2.1230228809872704, 5.20031237 ], [ 0, 0, 0 ] ]
[ [ 1.501200873325, 1.061509317475, 2.600156185 ], [ 4.503590610368013, 3.1845321984622696, 7.800468554999998 ], [ 3.0023897370430133, 2.1230228809872704, 5.20031237 ], [ 0, 0, 0 ] ]
[ [ 4.50360262, 0, 2.600156185 ], [ 1.5012008733000002, 4.2460372699, 2.600156185 ], [ 0, 0, 5.20031237 ] ]
4
[ 94, 47, 79, 79 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Au2 U1
4
82.05
-20.759
-0.022
0.184
0
AB2C_cF16_225_a_c_b:Ag-Au-U
-20.758687
0
0
-0.021722
-0.021722
0.188859
0.141059
AB2C_cF16_225_a_c_b:Ag-Au-U
true
Ag1 Au2 U1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.07819961, "alpha": 60, "b": 5.07819961, "beta": 60, "c": 5.07819961, "gamma": 60, "matrix": [ [ 4.3978498677, 0, 2.539099805 ], [ 1.4659499559, 4.1463326188, 2.539099805 ], [ 0, 0, 5.07819961 ] ], "volume": 92.600707647 }, "sites": [ { "abc": [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ], "label": "U", "species": [ { "element": "U", "occu": 1 } ], "xyz": [ 4.3978381401, 3.1097536105, 7.617299415 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.4659499559, 1.0365831547, 2.539099805 ] }, { "abc": [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], "label": "Au", "species": [ { "element": "Au", "occu": 1 } ], "xyz": [ 2.9319116394, 2.0731621631, 5.07819961 ] }, { "abc": [ 0, 0, 0 ], "label": "Au", "species": [ { "element": "Au", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-149
wbm-1-149
[ [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ], [ 0.25, 0.25, 0.25 ], [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], [ 0, 0, 0 ] ]
[ [ 4.397838140100352, 3.109753610432618, 7.617299415 ], [ 1.4659499559, 1.0365831547, 2.539099805 ], [ 2.931911639399647, 2.073162163067381, 5.07819961 ], [ 0, 0, 0 ] ]
[ [ 4.397838140100352, 3.109753610432618, 7.617299415 ], [ 1.4659499559, 1.0365831547, 2.539099805 ], [ 2.931911639399647, 2.073162163067381, 5.07819961 ], [ 0, 0, 0 ] ]
[ [ 4.3978498677, 0, 2.539099805 ], [ 1.4659499559, 4.1463326188, 2.539099805 ], [ 0, 0, 5.07819961 ] ]
4
[ 92, 47, 79, 79 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Au1 Hg2
4
80.83
-6.345
0.091
0.114
0
ABC2_cF16_225_a_b_c:Ag-Au-Hg
-6.34465
0
0
0.092313
0.092313
0.11315
0.099839
ABC2_cF16_225_a_b_c:Ag-Au-Hg
true
Ag1 Au1 Hg2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.80149856, "alpha": 59.99999992, "b": 4.80149856, "beta": 59.9999999, "c": 4.80149855, "gamma": 60, "matrix": [ [ 4.158219725, 0, 2.4007492873 ], [ 1.3860732369, 3.9204071562, 2.4007492858 ], [ 0, 0, 4.80149855 ] ], "volume": 78.2736181949 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Hg", "species": [ { "element": "Hg", "occu": 1 } ], "xyz": [ 1.3860732405, 0.9801017890000001, 2.4007492808 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Hg", "species": [ { "element": "Hg", "occu": 1 } ], "xyz": [ 4.1582197214, 2.9403053671, 7.2022478423 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Au", "species": [ { "element": "Au", "occu": 1 } ], "xyz": [ 2.772146481, 1.9602035781, 4.8014985615 ] } ] }
wbm-1-150
wbm-1-150
[ [ 0, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ], [ 0.5, 0.5, 0.5 ] ]
[ [ 0, 0, 0 ], [ 1.386073240475, 0.98010178905, 2.400749280775 ], [ 4.1582197214250005, 2.94030536715, 7.202247842325 ], [ 2.77214648095, 1.9602035781, 4.80149856155 ] ]
[ [ 0, 0, 0 ], [ 1.386073240475, 0.98010178905, 2.400749280775 ], [ 4.1582197214250005, 2.94030536715, 7.202247842325 ], [ 2.77214648095, 1.9602035781, 4.80149856155 ] ]
[ [ 4.158219725, 0, 2.4007492873 ], [ 1.3860732369, 3.9204071562, 2.4007492858 ], [ 0, 0, 4.80149855 ] ]
4
[ 47, 80, 80, 79 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Au1 Th2
4
103.74
-22.137
-0.304
0.077
0
ABC2_cF16_225_a_b_c:Ag-Au-Th
-22.137382
0
0
-0.300771
-0.300771
0.075515
0.539238
ABC2_cF16_225_a_b_c:Ag-Au-Th
true
Ag1 Au1 Th2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.84196382, "alpha": 60, "b": 4.84196382, "beta": 60, "c": 4.84196382, "gamma": 60, "matrix": [ [ 4.1932636723, 0, 2.42098191 ], [ 1.3977545574, 3.953446904, 2.42098191 ], [ 0, 0, 4.84196382 ] ], "volume": 80.269327074 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Th", "species": [ { "element": "Th", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], "label": "Th", "species": [ { "element": "Th", "occu": 1 } ], "xyz": [ 2.7955202969, 1.9767194986, 4.84196382 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.3977545574, 0.988361726, 2.42098191 ] }, { "abc": [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ], "label": "Au", "species": [ { "element": "Au", "occu": 1 } ], "xyz": [ 4.1932524903, 2.9650891315, 7.26294573 ] } ] }
wbm-1-151
wbm-1-151
[ [ 0, 0, 0 ], [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], [ 0.25, 0.25, 0.25 ], [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ] ]
[ [ 0, 0, 0 ], [ 2.795520296886459, 1.976719498553096, 4.84196382 ], [ 1.3977545574249999, 0.988361726, 2.42098191 ], [ 4.19325249023854, 2.965089131446904, 7.26294573 ] ]
[ [ 0, 0, 0 ], [ 2.795520296886459, 1.976719498553096, 4.84196382 ], [ 1.3977545574249999, 0.988361726, 2.42098191 ], [ 4.19325249023854, 2.965089131446904, 7.26294573 ] ]
[ [ 4.1932636723, 0, 2.42098191 ], [ 1.3977545574, 3.953446904, 2.42098191 ], [ 0, 0, 4.84196382 ] ]
4
[ 90, 90, 47, 79 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Au1 U2
4
93.73
-27.235
0.363
0.473
0
ABC2_cF16_225_a_b_c:Ag-Au-U
-27.235479
0
0
0.363455
0.363455
0.468744
0.400698
ABC2_cF16_225_a_b_c:Ag-Au-U
true
Ag1 Au1 U2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.84196382, "alpha": 60, "b": 4.84196382, "beta": 60, "c": 4.84196382, "gamma": 60, "matrix": [ [ 4.1932636723, 0, 2.42098191 ], [ 1.3977545574, 3.953446904, 2.42098191 ], [ 0, 0, 4.84196382 ] ], "volume": 80.269327074 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "U", "species": [ { "element": "U", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], "label": "U", "species": [ { "element": "U", "occu": 1 } ], "xyz": [ 2.7955202969, 1.9767194986, 4.84196382 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.3977545574, 0.988361726, 2.42098191 ] }, { "abc": [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ], "label": "Au", "species": [ { "element": "Au", "occu": 1 } ], "xyz": [ 4.1932524903, 2.9650891315, 7.26294573 ] } ] }
wbm-1-152
wbm-1-152
[ [ 0, 0, 0 ], [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], [ 0.25, 0.25, 0.25 ], [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ] ]
[ [ 0, 0, 0 ], [ 2.795520296886459, 1.976719498553096, 4.84196382 ], [ 1.3977545574249999, 0.988361726, 2.42098191 ], [ 4.19325249023854, 2.965089131446904, 7.26294573 ] ]
[ [ 0, 0, 0 ], [ 2.795520296886459, 1.976719498553096, 4.84196382 ], [ 1.3977545574249999, 0.988361726, 2.42098191 ], [ 4.19325249023854, 2.965089131446904, 7.26294573 ] ]
[ [ 4.1932636723, 0, 2.42098191 ], [ 1.3977545574, 3.953446904, 2.42098191 ], [ 0, 0, 4.84196382 ] ]
4
[ 92, 92, 47, 79 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Au1 Ba2
4
135.32
-11.786
-0.459
0.043
0
ABC2_cF16_225_a_b_c:Ag-Au-Ba
-11.786098
0
0
-0.4604
-0.4604
0.041519
0.120175
ABC2_cF16_225_a_b_c:Ag-Au-Ba
true
Ag1 Au1 Ba2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.19579449, "alpha": 60, "b": 5.19579449, "beta": 60, "c": 5.19579449, "gamma": 60, "matrix": [ [ 4.4996900212, 0, 2.597897245 ], [ 1.4998966737, 4.2423484363, 2.597897245 ], [ 0, 0, 5.19579449 ] ], "volume": 99.1838351667 }, "sites": [ { "abc": [ 0.49999699999999997, 0.500001, 0.500001 ], "label": "Ba", "species": [ { "element": "Ba", "occu": 1 } ], "xyz": [ 2.9997813483, 2.1211784605, 5.19579449 ] }, { "abc": [ 0, 0, 0 ], "label": "Ba", "species": [ { "element": "Ba", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.4998966737, 1.0605871091, 2.597897245 ] }, { "abc": [ 0.750003, 0.749999, 0.749999 ], "label": "Au", "species": [ { "element": "Au", "occu": 1 } ], "xyz": [ 4.4997020204, 3.1817570849, 7.793691735 ] } ] }
wbm-1-153
wbm-1-153
[ [ 0.49999699999999997, 0.500001, 0.500001 ], [ 0, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.750003, 0.749999, 0.749999 ] ]
[ [ 2.9997813482766102, 2.1211784604984367, 5.19579449 ], [ 0, 0, 0 ], [ 1.499896673725, 1.060587109075, 2.597897245 ], [ 4.49970202034839, 3.1817570848765637, 7.7936917349999995 ] ]
[ [ 2.9997813482766102, 2.1211784604984367, 5.19579449 ], [ 0, 0, 0 ], [ 1.499896673725, 1.060587109075, 2.597897245 ], [ 4.49970202034839, 3.1817570848765637, 7.7936917349999995 ] ]
[ [ 4.4996900212, 0, 2.597897245 ], [ 1.4998966737, 4.2423484363, 2.597897245 ], [ 0, 0, 5.19579449 ] ]
4
[ 56, 56, 47, 79 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Ba2 Bi1
4
152.76
-13.199
-0.656
0.02
0.32
AB2C_cF16_225_a_c_b:Ag-Ba-Bi
-13.199464
0
0
-0.672091
-0.672091
0.017365
0.000015
AB2C_cF16_225_a_c_b:Ag-Ba-Bi
false
Ag1 Ba2 Bi1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.93485559, "alpha": 60, "b": 5.93485559, "beta": 60, "c": 5.93485559, "gamma": 60, "matrix": [ [ 5.1397357087, 0, 2.967427795 ], [ 1.7132452362000001, 4.8457892975, 2.967427795 ], [ 0, 0, 5.93485559 ] ], "volume": 147.8139660919 }, "sites": [ { "abc": [ 0.49999699999999997, 0.500001, 0.500001 ], "label": "Ba", "species": [ { "element": "Ba", "occu": 1 } ], "xyz": [ 3.4264767665, 2.4228994946, 5.93485559 ] }, { "abc": [ 0, 0, 0 ], "label": "Ba", "species": [ { "element": "Ba", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.7132452362000001, 1.2114473244, 2.967427795 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Bi", "species": [ { "element": "Bi", "occu": 1 } ], "xyz": [ 5.1397357087, 3.6343419732, 8.902283385 ] } ] }
wbm-1-154
wbm-1-154
[ [ 0.49999699999999997, 0.500001, 0.500001 ], [ 0, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ] ]
[ [ 3.42647676648811, 2.4228994945392976, 5.93485559 ], [ 0, 0, 0 ], [ 1.7132452362250001, 1.211447324375, 2.967427795 ], [ 5.1397357086749995, 3.6343419731249997, 8.902283385 ] ]
[ [ 3.42647676648811, 2.4228994945392976, 5.93485559 ], [ 0, 0, 0 ], [ 1.7132452362250001, 1.211447324375, 2.967427795 ], [ 5.1397357086749995, 3.6343419731249997, 8.902283385 ] ]
[ [ 5.1397357087, 0, 2.967427795 ], [ 1.7132452362000001, 4.8457892975, 2.967427795 ], [ 0, 0, 5.93485559 ] ]
4
[ 56, 56, 47, 83 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Ba2 Pb1
4
151.36
-11.996
-0.404
0.059
0
AB2C_cF16_225_a_c_b:Ag-Ba-Pb
-11.996079
0
0
-0.40322
-0.40322
0.057472
0.045488
AB2C_cF16_225_a_c_b:Ag-Ba-Pb
true
Ag1 Ba2 Pb1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.40780997, "alpha": 60, "b": 5.40780997, "beta": 60, "c": 5.40780997, "gamma": 60, "matrix": [ [ 4.6833008129, 0, 2.7039049850000003 ], [ 1.561100271, 4.4154583508, 2.7039049850000003 ], [ 0, 0, 5.40780997 ] ], "volume": 111.8276680333 }, "sites": [ { "abc": [ 0.5, 0.5, 0.5 ], "label": "Ba", "species": [ { "element": "Ba", "occu": 1 } ], "xyz": [ 3.1222005419, 2.2077291754, 5.40780997 ] }, { "abc": [ 0, 0, 0 ], "label": "Ba", "species": [ { "element": "Ba", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.561100271, 1.1038645877, 2.7039049850000003 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Pb", "species": [ { "element": "Pb", "occu": 1 } ], "xyz": [ 4.6833008129, 3.3115937631, 8.111714955 ] } ] }
wbm-1-155
wbm-1-155
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ] ]
[ [ 3.12220054195, 2.2077291754, 5.407809970000001 ], [ 0, 0, 0 ], [ 1.561100270975, 1.1038645877, 2.7039049850000003 ], [ 4.683300812924999, 3.3115937631, 8.111714955 ] ]
[ [ 3.12220054195, 2.2077291754, 5.407809970000001 ], [ 0, 0, 0 ], [ 1.561100270975, 1.1038645877, 2.7039049850000003 ], [ 4.683300812924999, 3.3115937631, 8.111714955 ] ]
[ [ 4.6833008129, 0, 2.7039049850000003 ], [ 1.561100271, 4.4154583508, 2.7039049850000003 ], [ 0, 0, 5.40780997 ] ]
4
[ 56, 56, 47, 82 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Ba2 Pt1
4
124.48
-14.595
-0.465
0.075
0
AB2C_cF16_225_a_c_b:Ag-Ba-Pt
-14.595323
0
0
-0.463406
-0.463406
0.051653
0.000015
AB2C_cF16_225_a_c_b:Ag-Ba-Pt
true
Ag1 Ba2 Pt1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.37616595, "alpha": 60, "b": 5.37616595, "beta": 60, "c": 5.37616595, "gamma": 60, "matrix": [ [ 4.6558962877, 0, 2.688082975 ], [ 1.5519654292, 4.3896211167, 2.688082975 ], [ 0, 0, 5.37616595 ] ], "volume": 109.8760402986 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Ba", "species": [ { "element": "Ba", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], "label": "Ba", "species": [ { "element": "Ba", "occu": 1 } ], "xyz": [ 3.1039432742, 2.1948061687, 5.37616595 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5519654292, 1.0974052792, 2.688082975 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Pt", "species": [ { "element": "Pt", "occu": 1 } ], "xyz": [ 4.6558962877, 3.2922158375, 8.064248925 ] } ] }
wbm-1-156
wbm-1-156
[ [ 0, 0, 0 ], [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ] ]
[ [ 0, 0, 0 ], [ 3.1039432741734334, 2.194806168728883, 5.376165949999999 ], [ 1.551965429225, 1.097405279175, 2.688082975 ], [ 4.6558962876750005, 3.292215837525, 8.064248925 ] ]
[ [ 0, 0, 0 ], [ 3.1039432741734334, 2.194806168728883, 5.376165949999999 ], [ 1.551965429225, 1.097405279175, 2.688082975 ], [ 4.6558962876750005, 3.292215837525, 8.064248925 ] ]
[ [ 4.6558962877, 0, 2.688082975 ], [ 1.5519654292, 4.3896211167, 2.688082975 ], [ 0, 0, 5.37616595 ] ]
4
[ 56, 56, 47, 78 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag2 Ba2 Bi2
6
206.44
-21.244
-0.657
-0.079
0
ABC_hP6_186_b_a_b:Ag-Ba-Bi
-21.243638
0
0
-0.676573
-0.676573
-0.0019
1.893175
ABC_hP6_194_c_a_d:Ag-Ba-Bi
false
Ag2 Ba2 Bi2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.90645654, "alpha": 90, "b": 4.90645654, "beta": 90, "c": 7.84293672, "gamma": 119.99999973, "matrix": [ [ 4.90645654, 0, 3.004338148e-16 ], [ -2.45322825, 4.2491160178, 3.004338148e-16 ], [ 0, 0, 7.84293672 ] ], "volume": 163.510353146 }, "sites": [ { "abc": [ 0, 0, 0.9771519999999999 ], "label": "Ba", "species": [ { "element": "Ba", "occu": 1 } ], "xyz": [ 0, 0, 7.6637413018 ] }, { "abc": [ 0, 0, 0.47715199999999997 ], "label": "Ba", "species": [ { "element": "Ba", "occu": 1 } ], "xyz": [ 0, 0, 3.7422729418 ] }, { "abc": [ 0.6666666667000001, 0.33333333330000003, 0.661902 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.4532282767, 1.4163720059, 5.1912555008 ] }, { "abc": [ 0.33333333330000003, 0.6666666667000001, 0.161902 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.33e-8, 2.8327440118, 1.2697871408 ] }, { "abc": [ 0.33333333330000003, 0.6666666667000001, 0.761276 ], "label": "Bi", "species": [ { "element": "Bi", "occu": 1 } ], "xyz": [ 1.33e-8, 2.8327440118, 5.9706394945 ] }, { "abc": [ 0.6666666667000001, 0.33333333330000003, 0.261276 ], "label": "Bi", "species": [ { "element": "Bi", "occu": 1 } ], "xyz": [ 2.4532282767, 1.4163720059, 2.0491711345 ] } ] }
wbm-1-157
wbm-1-157
[ [ 0, 0, 0.9771519999999999 ], [ 0, 0, 0.47715199999999997 ], [ 0.6666666667000001, 0.33333333330000003, 0.661902 ], [ 0.33333333330000003, 0.6666666667000001, 0.161902 ], [ 0.33333333330000003, 0.6666666667000001, 0.761276 ], [ 0.6666666667000001, 0.33333333330000003, 0.261276 ] ]
[ [ 0, 0, 7.663741301821439 ], [ 0, 0, 3.7422729418214398 ], [ 2.4532282769119895, 1.4163720057916962, 5.19125550084144 ], [ 1.3088010453188303e-8, 2.832744012008304, 1.26978714084144 ], [ 1.3088010453188303e-8, 2.832744012008304, 5.970639494454719 ], [ 2.4532282769119895, 1.4163720057916962, 2.0491711344547205 ] ]
[ [ 0, 0, 7.663741301821439 ], [ 0, 0, 3.7422729418214398 ], [ 2.4532282769119895, 1.4163720057916962, 5.19125550084144 ], [ 1.3088010453188303e-8, 2.832744012008304, 1.26978714084144 ], [ 1.3088010453188303e-8, 2.832744012008304, 5.970639494454719 ], [ 2.4532282769119895, 1.4163720057916962, 2.0491711344547205 ] ]
[ [ 4.90645654, 0, 3.004338148e-16 ], [ -2.45322825, 4.2491160178, 3.004338148e-16 ], [ 0, 0, 7.84293672 ] ]
6
[ 56, 56, 47, 47, 83, 83 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Ba1 Hg2
4
115.52
-6.485
-0.281
0.095
0
ABC2_cF16_225_a_b_c:Ag-Ba-Hg
-6.485284
0
0
-0.281571
-0.281571
0.097737
0.084395
ABC2_cF16_225_a_b_c:Ag-Ba-Hg
true
Ag1 Ba1 Hg2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.11008177, "alpha": 60, "b": 5.11008177, "beta": 60, "c": 5.11008177, "gamma": 60, "matrix": [ [ 4.4254606282, 0, 2.555040885 ], [ 1.4751535427, 4.1723642935, 2.555040885 ], [ 0, 0, 5.11008177 ] ], "volume": 94.3557891199 }, "sites": [ { "abc": [ 0.75, 0.75, 0.75 ], "label": "Ba", "species": [ { "element": "Ba", "occu": 1 } ], "xyz": [ 4.4254606282, 3.1292732201, 7.665122655 ] }, { "abc": [ 0.250003, 0.249999, 0.249999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.475165344, 1.043086901, 2.555040885 ] }, { "abc": [ 0, 0, 0 ], "label": "Hg", "species": [ { "element": "Hg", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.49999699999999997, 0.500001, 0.500001 ], "label": "Hg", "species": [ { "element": "Hg", "occu": 1 } ], "xyz": [ 2.9502952843, 2.0861863191, 5.11008177 ] } ] }
wbm-1-158
wbm-1-158
[ [ 0.75, 0.75, 0.75 ], [ 0.250003, 0.249999, 0.249999 ], [ 0, 0, 0 ], [ 0.49999699999999997, 0.500001, 0.500001 ] ]
[ [ 4.425460628174999, 3.1292732201250004, 7.665122654999999 ], [ 1.4751653439533419, 1.0430869010107067, 2.555040885 ], [ 0, 0, 0 ], [ 2.9502952842216583, 2.0861863191142938, 5.110081770000001 ] ]
[ [ 4.425460628174999, 3.1292732201250004, 7.665122654999999 ], [ 1.4751653439533419, 1.0430869010107067, 2.555040885 ], [ 0, 0, 0 ], [ 2.9502952842216583, 2.0861863191142938, 5.110081770000001 ] ]
[ [ 4.4254606282, 0, 2.555040885 ], [ 1.4751535427, 4.1723642935, 2.555040885 ], [ 0, 0, 5.11008177 ] ]
4
[ 56, 47, 80, 80 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag2 Ba2
4
149.18
-10.618
-0.278
-0.024
0
AB_oC8_63_c_c:Ag-Ba
-10.618272
0
0
-0.278768
-0.278768
0.002384
0.309358
AB_oC8_63_c_c:Ag-Ba
true
Ag2 Ba2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.10765262, "alpha": 90, "b": 4.71187061, "beta": 109.87637085, "c": 6.04081238, "gamma": 90, "matrix": [ [ 3.8629532706000003, 0, -1.3965679631 ], [ 7.57726585e-16, 4.71187061, 2.88518863e-16 ], [ 0, 0, 6.04081238 ] ], "volume": 109.9532720673 }, "sites": [ { "abc": [ 0.858756, 0.25, 0.717511 ], "label": "Ba", "species": [ { "element": "Ba", "occu": 1 } ], "xyz": [ 3.3173342989, 1.1779676525, 3.1350382138 ] }, { "abc": [ 0.14124399999999998, 0.75, 0.282489 ], "label": "Ba", "species": [ { "element": "Ba", "occu": 1 } ], "xyz": [ 0.5456189718000001, 3.5339029575, 1.5092062030000002 ] }, { "abc": [ 0.574987, 0.25, 0.149973 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.2211479122, 1.1779676525, 0.10295033170000001 ] }, { "abc": [ 0.425013, 0.75, 0.850027 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.6418053584, 3.5339029575, 4.5412940852 ] } ] }
wbm-1-159
wbm-1-159
[ [ 0.858756, 0.25, 0.717511 ], [ 0.14124399999999998, 0.75, 0.282489 ], [ 0.574987, 0.25, 0.149973 ], [ 0.425013, 0.75, 0.850027 ] ]
[ [ 3.3173342988473737, 1.1779676525, 3.1350382138662765 ], [ 0.545618971752627, 3.5339029575, 1.5092062030337237 ], [ 2.2211479122024826, 1.1779676525, 0.10295033166676026 ], [ 1.6418053583975185, 3.5339029575, 4.541294085233241 ] ]
[ [ 3.3173342988473737, 1.1779676525, 3.1350382138662765 ], [ 0.545618971752627, 3.5339029575, 1.5092062030337237 ], [ 2.2211479122024826, 1.1779676525, 0.10295033166676026 ], [ 1.6418053583975185, 3.5339029575, 4.541294085233241 ] ]
[ [ 3.8629532706000003, 0, -1.3965679631 ], [ 7.57726585e-16, 4.71187061, 2.88518863e-16 ], [ 0, 0, 6.04081238 ] ]
4
[ 56, 56, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Bi1
2
49.6
-6.432
0.148
0.148
0
AB_cP2_221_a_b:Ag-Bi
-6.431644
0
0
0.120728
0.120728
0.120701
0.466731
AB_cP2_221_a_b:Ag-Bi
true
Ag1 Bi1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 3.9741656, "alpha": 90, "b": 3.9741656, "beta": 90, "c": 3.9741656, "gamma": 90, "matrix": [ [ 3.9741656, 0, 2.433474591e-16 ], [ 6.390945714999999e-16, 3.9741656, 2.433474591e-16 ], [ 0, 0, 3.9741656 ] ], "volume": 62.7679405524 }, "sites": [ { "abc": [ 0.500001, 0.500001, 0.500001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.9870867742, 1.9870867742, 1.9870867742 ] }, { "abc": [ 0, 0, 0 ], "label": "Bi", "species": [ { "element": "Bi", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-160
wbm-1-160
[ [ 0.500001, 0.500001, 0.500001 ], [ 0, 0, 0 ] ]
[ [ 1.9870867741656004, 1.9870867741656002, 1.9870867741656004 ], [ 0, 0, 0 ] ]
[ [ 1.9870867741656004, 1.9870867741656002, 1.9870867741656004 ], [ 0, 0, 0 ] ]
[ [ 3.9741656, 0, 2.433474591e-16 ], [ 6.390945714999999e-16, 3.9741656, 2.433474591e-16 ], [ 0, 0, 3.9741656 ] ]
2
[ 47, 83 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ac1 Ag1 Cd2
4
106.47
-9.464
-0.17
0.079
0
ABC2_cF16_225_a_b_c:Ac-Ag-Cd
-9.46402
0
0
-0.166105
-0.166105
0.086275
0.01388
ABC2_cF16_225_a_b_c:Ac-Ag-Cd
true
Ac1 Ag1 Cd2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.3416024, "alpha": 60, "b": 5.3416024, "beta": 60, "c": 5.3416024, "gamma": 60, "matrix": [ [ 4.6259633753, 0, 2.6708012 ], [ 1.5419877918, 4.3614000963, 2.6708012 ], [ 0, 0, 5.3416024 ] ], "volume": 107.7704452749 }, "sites": [ { "abc": [ 0.249997, 0.250001, 0.250001 ], "label": "Ac", "species": [ { "element": "Ac", "occu": 1 } ], "xyz": [ 1.5419754559, 1.0903543855, 2.6708012 ] }, { "abc": [ 0, 0, 0 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 3.0839755835, 2.1807000481, 5.3416024 ] }, { "abc": [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.6259510394, 3.2710544336, 8.0124036 ] } ] }
wbm-1-161
wbm-1-161
[ [ 0.249997, 0.250001, 0.250001 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ] ]
[ [ 1.5419754558726657, 1.090354385475096, 2.6708011999999997 ], [ 0, 0, 0 ], [ 3.08397558355, 2.18070004815, 5.3416024 ], [ 4.625951039422665, 3.2710544336250957, 8.012403599999999 ] ]
[ [ 1.5419754558726657, 1.090354385475096, 2.6708011999999997 ], [ 0, 0, 0 ], [ 3.08397558355, 2.18070004815, 5.3416024 ], [ 4.625951039422665, 3.2710544336250957, 8.012403599999999 ] ]
[ [ 4.6259633753, 0, 2.6708012 ], [ 1.5419877918, 4.3614000963, 2.6708012 ], [ 0, 0, 5.3416024 ] ]
4
[ 89, 48, 48, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Cd2 Ir1
4
72.34
-13.093
0.107
0.158
0
AB2C_cF16_225_a_c_b:Ag-Cd-Ir
-13.092648
0
0
0.106038
0.106038
0.158015
0.000005
AB2C_cF16_225_a_c_b:Ag-Cd-Ir
true
Ag1 Cd2 Ir1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.54076717, "alpha": 60, "b": 4.54076717, "beta": 60, "c": 4.54076717, "gamma": 60, "matrix": [ [ 3.9324197219, 0, 2.2703835850000003 ], [ 1.310806574, 3.7075208691, 2.2703835850000003 ], [ 0, 0, 4.54076717 ] ], "volume": 66.2022429363 }, "sites": [ { "abc": [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 2.6216236344, 1.853756727, 4.54076717 ] }, { "abc": [ 0, 0, 0 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.310806574, 0.9268802173, 2.2703835850000003 ] }, { "abc": [ 0.750003, 0.749999, 0.749999 ], "label": "Ir", "species": [ { "element": "Ir", "occu": 1 } ], "xyz": [ 3.9324302083, 2.7806369443000003, 6.811150755 ] } ] }
wbm-1-162
wbm-1-162
[ [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], [ 0, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.750003, 0.749999, 0.749999 ] ]
[ [ 2.6216236344025914, 1.8537567270291309, 4.54076717 ], [ 0, 0, 0 ], [ 1.310806573975, 0.926880217275, 2.2703835850000003 ], [ 3.9324302083775913, 2.7806369443041308, 6.811150755 ] ]
[ [ 2.6216236344025914, 1.8537567270291309, 4.54076717 ], [ 0, 0, 0 ], [ 1.310806573975, 0.926880217275, 2.2703835850000003 ], [ 3.9324302083775913, 2.7806369443041308, 6.811150755 ] ]
[ [ 3.9324197219, 0, 2.2703835850000003 ], [ 1.310806574, 3.7075208691, 2.2703835850000003 ], [ 0, 0, 4.54076717 ] ]
4
[ 48, 48, 47, 77 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Cd2 La1
4
98.15
-10.624
-0.26
0.051
0
AB2C_cF16_225_a_c_b:Ag-Cd-La
-10.623779
0
0
-0.252345
-0.252345
0.054054
0.028712
AB2C_cF16_225_a_c_b:Ag-Cd-La
true
Ag1 Cd2 La1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.2101139100000005, "alpha": 60.00008227, "b": 5.21008976, "beta": 60.00003212, "c": 5.21007611, "gamma": 59.99994155, "matrix": [ [ 4.5120924631, 0, 2.6050544255 ], [ 1.5040333919000002, 4.2540208969, 2.6050384012 ], [ 0, 0, 5.21007611 ] ], "volume": 100.0049915118 }, "sites": [ { "abc": [ 0.749999, 0.75, 0.7500009999999999 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 4.5120898791, 3.1905156727, 7.8151293076 ] }, { "abc": [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 3.0080749597, 2.1270061945, 5.2100844684 ] }, { "abc": [ 0, 0, 0 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5040314637, 1.0635052242, 2.6050422342 ] } ] }
wbm-1-163
wbm-1-163
[ [ 0.749999, 0.75, 0.7500009999999999 ], [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], [ 0, 0, 0 ], [ 0.25, 0.25, 0.25 ] ]
[ [ 4.5120898791575375, 3.190515672675, 7.815129307546684 ], [ 3.0080749597439973, 2.127006194429103, 5.210084468398765 ], [ 0, 0, 0 ], [ 1.50403146375, 1.063505224225, 2.6050422341750004 ] ]
[ [ 4.5120898791575375, 3.190515672675, 7.815129307546684 ], [ 3.0080749597439973, 2.127006194429103, 5.210084468398765 ], [ 0, 0, 0 ], [ 1.50403146375, 1.063505224225, 2.6050422341750004 ] ]
[ [ 4.5120924631, 0, 2.6050544255 ], [ 1.5040333919000002, 4.2540208969, 2.6050384012 ], [ 0, 0, 5.21007611 ] ]
4
[ 57, 48, 48, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 2, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Cd2 Pt1
4
73.77
-11.528
-0.203
0.03
0
AB2C_cF16_225_a_c_b:Ag-Cd-Pt
-11.52845
0
0
-0.194738
-0.194738
0.000747
0.062897
AB2C_cF16_225_a_c_b:Ag-Cd-Pt
false
Ag1 Cd2 Pt1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.80149856, "alpha": 59.99999992, "b": 4.80149856, "beta": 59.9999999, "c": 4.80149855, "gamma": 60, "matrix": [ [ 4.158219725, 0, 2.4007492873 ], [ 1.3860732369, 3.9204071562, 2.4007492858 ], [ 0, 0, 4.80149855 ] ], "volume": 78.2736181949 }, "sites": [ { "abc": [ 0.25, 0.25, 0.25 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 1.3860732405, 0.9801017890000001, 2.4007492808 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 4.1582197214, 2.9403053671, 7.2022478423 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Pt", "species": [ { "element": "Pt", "occu": 1 } ], "xyz": [ 2.772146481, 1.9602035781, 4.8014985615 ] } ] }
wbm-1-164
wbm-1-164
[ [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
[ [ 1.386073240475, 0.98010178905, 2.400749280775 ], [ 4.1582197214250005, 2.94030536715, 7.202247842325 ], [ 0, 0, 0 ], [ 2.77214648095, 1.9602035781, 4.80149856155 ] ]
[ [ 1.386073240475, 0.98010178905, 2.400749280775 ], [ 4.1582197214250005, 2.94030536715, 7.202247842325 ], [ 0, 0, 0 ], [ 2.77214648095, 1.9602035781, 4.80149856155 ] ]
[ [ 4.158219725, 0, 2.4007492873 ], [ 1.3860732369, 3.9204071562, 2.4007492858 ], [ 0, 0, 4.80149855 ] ]
4
[ 48, 48, 47, 78 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag2 Cd6
8
164.06
-11.492
-0.043
-0
0
AB3_hP8_194_c_h:Ag-Cd
-11.492204
0
0
-0.036201
-0.036201
0.00876
0.187481
AB3_hP8_194_c_h:Ag-Cd
true
Ag2 Cd6
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.91620558, "alpha": 60.00000667, "b": 6.16754199, "beta": 90, "c": 6.16754075, "gamma": 90, "matrix": [ [ 4.91620558, 0, 3.010307714e-16 ], [ -3.270571379e-16, 5.3412484012, 3.0837703732 ], [ 0, 0, 6.16754075 ] ], "volume": 161.9514493021 }, "sites": [ { "abc": [ 0.750002, 0.659099, 0.170451 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 3.6871640173999998, 3.52041148, 3.0837734576 ] }, { "abc": [ 0.750002, 0.17045000000000002, 0.659099 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 3.6871640173999998, 0.9104157900000001, 4.5906486009 ] }, { "abc": [ 0.750002, 0.17045000000000002, 0.170452 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 3.6871640173999998, 0.9104157900000001, 1.576898316 ] }, { "abc": [ 0.250001, 0.8295500000000001, 0.829549 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 1.2290563112, 4.4308326112, 7.6744189747 ] }, { "abc": [ 0.250001, 0.8295500000000001, 0.34090000000000004 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 1.2290563112, 4.4308326112, 4.6606563548 ] }, { "abc": [ 0.250001, 0.340902, 0.829548 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 1.2290563112, 1.8208422625, 6.1675345818 ] }, { "abc": [ 0.750002, 0.6666666667000001, 0.6666666667000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.6871640173999998, 3.5608322675, 6.1675407488 ] }, { "abc": [ 0.250001, 0.33333333330000003, 0.33333333330000003 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.2290563112, 1.7804161337000002, 3.0837703744 ] } ] }
wbm-1-165
wbm-1-165
[ [ 0.750002, 0.659099, 0.170451 ], [ 0.750002, 0.17045000000000002, 0.659099 ], [ 0.750002, 0.17045000000000002, 0.170452 ], [ 0.250001, 0.8295500000000001, 0.829549 ], [ 0.250001, 0.8295500000000001, 0.34090000000000004 ], [ 0.250001, 0.340902, 0.829548 ], [ 0.750002, 0.6666666667000001, 0.6666666667000001 ], [ 0.250001, 0.33333333330000003, 0.33333333330000003 ] ]
[ [ 3.6871640174111597, 3.5204114799825184, 3.0837734575839972 ], [ 3.6871640174111597, 0.9104157899845401, 4.59064860089619 ], [ 3.6871640174111597, 0.9104157899845401, 1.57689831603094 ], [ 1.2290563112055797, 4.43083261121546, 7.67441897470981 ], [ 1.2290563112055797, 4.43083261121546, 4.660656354763061 ], [ 1.2290563112055797, 1.8208422624658822, 6.167534581845626 ], [ 3.6871640174111597, 3.5608322676447086, 6.167540749108378 ], [ 1.22905631120558, 1.7804161335552917, 3.083770374091623 ] ]
[ [ 3.6871640174111597, 3.5204114799825184, 3.0837734575839972 ], [ 3.6871640174111597, 0.9104157899845401, 4.59064860089619 ], [ 3.6871640174111597, 0.9104157899845401, 1.57689831603094 ], [ 1.2290563112055797, 4.43083261121546, 7.67441897470981 ], [ 1.2290563112055797, 4.43083261121546, 4.660656354763061 ], [ 1.2290563112055797, 1.8208422624658822, 6.167534581845626 ], [ 3.6871640174111597, 3.5608322676447086, 6.167540749108378 ], [ 1.22905631120558, 1.7804161335552917, 3.083770374091623 ] ]
[ [ 4.91620558, 0, 3.010307714e-16 ], [ -3.270571379e-16, 5.3412484012, 3.0837703732 ], [ 0, 0, 6.16754075 ] ]
8
[ 48, 48, 48, 48, 48, 48, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 6, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Au2 Cd1
4
75.1
-10.744
-0.113
0.004
0
AB2C_cF16_225_a_c_b:Ag-Au-Cd
-10.74435
0
0
-0.110263
-0.110263
0.004992
0.052397
AB2C_cF16_225_a_c_b:Ag-Au-Cd
false
Ag1 Au2 Cd1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.5952907, "alpha": 59.9999906, "b": 4.59529295, "beta": 59.99998511, "c": 4.59529317, "gamma": 59.99999216, "matrix": [ [ 3.9796378869, 0, 2.2976463842 ], [ 1.3265466646, 3.7520406339, 2.2976471279 ], [ 0, 0, 4.59529317 ] ], "volume": 68.6158288047 }, "sites": [ { "abc": [ 0.75, 0.75, 0.75 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 3.9796384136, 2.8140304754, 6.8929400116 ] }, { "abc": [ 0.250003, 0.249999, 0.249999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.3265567502, 0.9380064064, 2.2976466705 ] }, { "abc": [ 0, 0, 0 ], "label": "Au", "species": [ { "element": "Au", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.49999699999999997, 0.500001, 0.500001 ], "label": "Au", "species": [ { "element": "Au", "occu": 1 } ], "xyz": [ 2.6530816634, 1.876024069, 4.5952933411 ] } ] }
wbm-1-166
wbm-1-166
[ [ 0.75, 0.75, 0.75 ], [ 0.250003, 0.249999, 0.249999 ], [ 0, 0, 0 ], [ 0.49999699999999997, 0.500001, 0.500001 ] ]
[ [ 3.9796384136249996, 2.814030475425, 6.892940011575 ], [ 1.326556750241996, 0.9380064064343662, 2.2976466705238545 ], [ 0, 0, 0 ], [ 2.653081663383004, 1.876024068990634, 4.595293341051145 ] ]
[ [ 3.9796384136249996, 2.814030475425, 6.892940011575 ], [ 1.326556750241996, 0.9380064064343662, 2.2976466705238545 ], [ 0, 0, 0 ], [ 2.653081663383004, 1.876024068990634, 4.595293341051145 ] ]
[ [ 3.9796378869, 0, 2.2976463842 ], [ 1.3265466646, 3.7520406339, 2.2976471279 ], [ 0, 0, 4.59529317 ] ]
4
[ 48, 47, 79, 79 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Bi1 Cd1
3
79.32
-7.508
0.044
0.086
0
ABC_cF12_216_c_a_b:Ag-Bi-Cd
-7.508397
0
0
0.029201
0.029201
0.071558
0.000025
ABC_cF12_216_c_a_b:Ag-Bi-Cd
true
Ag1 Bi1 Cd1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.73385239, "alpha": 59.99999659, "b": 4.73385239, "beta": 59.99999655, "c": 4.7338524, "gamma": 60.00000362, "matrix": [ [ 4.099636285, 0, 2.3669264419 ], [ 1.3665449409, 3.8651743308, 2.366926439 ], [ 0, 0, 4.7338524 ] ], "volume": 75.0117206533 }, "sites": [ { "abc": [ 0.5, 0.5, 0.5 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 2.7330906129, 1.9325871654000002, 4.7338526404 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.3665453065, 0.9662935827, 2.3669263202 ] }, { "abc": [ 0, 0, 0 ], "label": "Bi", "species": [ { "element": "Bi", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-167
wbm-1-167
[ [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ], [ 0, 0, 0 ] ]
[ [ 2.73309061295, 1.9325871654, 4.73385264045 ], [ 1.366545306475, 0.9662935827, 2.366926320225 ], [ 0, 0, 0 ] ]
[ [ 2.73309061295, 1.9325871654, 4.73385264045 ], [ 1.366545306475, 0.9662935827, 2.366926320225 ], [ 0, 0, 0 ] ]
[ [ 4.099636285, 0, 2.3669264419 ], [ 1.3665449409, 3.8651743308, 2.366926439 ], [ 0, 0, 4.7338524 ] ]
3
[ 48, 47, 83 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Cd1 Ce2
4
107.95
-15.874
-0.065
0.109
0
ABC2_cF16_225_a_b_c:Ag-Cd-Ce
-15.873732
0
0
-0.063008
-0.063008
0.102089
0.418127
ABC2_cF16_225_a_b_c:Ag-Cd-Ce
true
Ag1 Cd1 Ce2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.94605728, "alpha": 60, "b": 4.94605728, "beta": 60, "c": 4.94605728, "gamma": 60, "matrix": [ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ], "volume": 85.5583551958 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Ce", "species": [ { "element": "Ce", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Ce", "species": [ { "element": "Ce", "occu": 1 } ], "xyz": [ 2.855607502, 2.0192194291, 4.94605728 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 4.2834112531, 3.0288291436, 7.41908592 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.427803751, 1.0096097145, 2.47302864 ] } ] }
wbm-1-168
wbm-1-168
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ]
4
[ 58, 58, 48, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Cd1 Dy2
4
100.41
-14.192
-0.309
0.015
0
ABC2_cF16_225_a_b_c:Ag-Cd-Dy
-14.191585
0
0
-0.305621
-0.305621
0.020451
0.316319
ABC2_cF16_225_a_b_c:Ag-Cd-Dy
true
Ag1 Cd1 Dy2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.94605728, "alpha": 60, "b": 4.94605728, "beta": 60, "c": 4.94605728, "gamma": 60, "matrix": [ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ], "volume": 85.5583551958 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Dy", "species": [ { "element": "Dy", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Dy", "species": [ { "element": "Dy", "occu": 1 } ], "xyz": [ 2.855607502, 2.0192194291, 4.94605728 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 4.2834112531, 3.0288291436, 7.41908592 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.427803751, 1.0096097145, 2.47302864 ] } ] }
wbm-1-169
wbm-1-169
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ]
4
[ 66, 66, 48, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Cd1 Er2
4
98
-14.134
-0.314
0.015
0
ABC2_cF16_225_a_b_c:Ag-Cd-Er
-14.134223
0
0
-0.310831
-0.310831
0.020936
0.28131
ABC2_cF16_225_a_b_c:Ag-Cd-Er
true
Ag1 Cd1 Er2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.94605728, "alpha": 60, "b": 4.94605728, "beta": 60, "c": 4.94605728, "gamma": 60, "matrix": [ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ], "volume": 85.5583551958 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Er", "species": [ { "element": "Er", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Er", "species": [ { "element": "Er", "occu": 1 } ], "xyz": [ 2.855607502, 2.0192194291, 4.94605728 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 4.2834112531, 3.0288291436, 7.41908592 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.427803751, 1.0096097145, 2.47302864 ] } ] }
wbm-1-170
wbm-1-170
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ]
4
[ 68, 68, 48, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Cd1 Eu2
4
116.73
-25.546
-0.305
0.021
0
ABC2_cF16_225_a_b_c:Ag-Cd-Eu
-25.54604
0
0
-0.319135
-0.319135
0.018323
0.509246
ABC2_cF16_225_a_b_c:Ag-Cd-Eu
true
Ag1 Cd1 Eu2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.94605728, "alpha": 60, "b": 4.94605728, "beta": 60, "c": 4.94605728, "gamma": 60, "matrix": [ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ], "volume": 85.5583551958 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Eu", "species": [ { "element": "Eu", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Eu", "species": [ { "element": "Eu", "occu": 1 } ], "xyz": [ 2.855607502, 2.0192194291, 4.94605728 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 4.2834112531, 3.0288291436, 7.41908592 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.427803751, 1.0096097145, 2.47302864 ] } ] }
wbm-1-171
wbm-1-171
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ]
4
[ 63, 63, 48, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Cd1 Gd2
4
103.13
-33.119
-0.31
0.02
0
ABC2_cF16_225_a_b_c:Ag-Cd-Gd
-33.149759
0
0
-0.310515
-0.310515
0.016373
0.359636
ABC2_cF16_225_a_b_c:Ag-Cd-Gd
true
Ag1 Cd1 Gd2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.94605728, "alpha": 60, "b": 4.94605728, "beta": 60, "c": 4.94605728, "gamma": 60, "matrix": [ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ], "volume": 85.5583551958 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Gd", "species": [ { "element": "Gd", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Gd", "species": [ { "element": "Gd", "occu": 1 } ], "xyz": [ 2.855607502, 2.0192194291, 4.94605728 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 4.2834112531, 3.0288291436, 7.41908592 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.427803751, 1.0096097145, 2.47302864 ] } ] }
wbm-1-172
wbm-1-172
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ]
4
[ 64, 64, 48, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Cd1 Hf2
4
82.26
-23.209
0.111
0.209
0
ABC2_cF16_225_a_b_c:Ag-Cd-Hf
-23.209055
0
0
0.115211
0.115211
0.211427
0.057506
ABC2_cF16_225_a_b_c:Ag-Cd-Hf
true
Ag1 Cd1 Hf2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.94605728, "alpha": 60, "b": 4.94605728, "beta": 60, "c": 4.94605728, "gamma": 60, "matrix": [ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ], "volume": 85.5583551958 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Hf", "species": [ { "element": "Hf", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Hf", "species": [ { "element": "Hf", "occu": 1 } ], "xyz": [ 2.855607502, 2.0192194291, 4.94605728 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 4.2834112531, 3.0288291436, 7.41908592 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.427803751, 1.0096097145, 2.47302864 ] } ] }
wbm-1-173
wbm-1-173
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ]
4
[ 72, 72, 48, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Cd1 Ho2
4
99.18
-14.154
-0.314
0.015
0
ABC2_cF16_225_a_b_c:Ag-Cd-Ho
-14.153971
0
0
-0.308418
-0.308418
0.020951
0.298145
ABC2_cF16_225_a_b_c:Ag-Cd-Ho
true
Ag1 Cd1 Ho2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.94605728, "alpha": 60, "b": 4.94605728, "beta": 60, "c": 4.94605728, "gamma": 60, "matrix": [ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ], "volume": 85.5583551958 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Ho", "species": [ { "element": "Ho", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Ho", "species": [ { "element": "Ho", "occu": 1 } ], "xyz": [ 2.855607502, 2.0192194291, 4.94605728 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 4.2834112531, 3.0288291436, 7.41908592 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.427803751, 1.0096097145, 2.47302864 ] } ] }
wbm-1-174
wbm-1-174
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ]
4
[ 67, 67, 48, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Cd1 In2
4
94.07
-8.966
0.07
0.103
0
ABC2_cF16_225_a_b_c:Ag-Cd-In
-8.966142
0
0
0.07319
0.07319
0.105785
0.369508
ABC2_cF16_225_a_b_c:Ag-Cd-In
true
Ag1 Cd1 In2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.94605728, "alpha": 60, "b": 4.94605728, "beta": 60, "c": 4.94605728, "gamma": 60, "matrix": [ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ], "volume": 85.5583551958 }, "sites": [ { "abc": [ 0.75, 0.75, 0.75 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 4.2834112531, 3.0288291436, 7.41908592 ] }, { "abc": [ 0, 0, 0 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 2.855607502, 2.0192194291, 4.94605728 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.427803751, 1.0096097145, 2.47302864 ] } ] }
wbm-1-175
wbm-1-175
[ [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ] ]
[ [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ]
4
[ 48, 49, 49, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Cd1 Ir2
4
66.29
-19.108
0.591
0.622
0
ABC2_cF16_225_a_b_c:Ag-Cd-Ir
-19.107735
0
0
0.581141
0.581141
0.612929
0.000012
ABC2_cF16_225_a_b_c:Ag-Cd-Ir
true
Ag1 Cd1 Ir2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.5952907, "alpha": 59.9999906, "b": 4.59529295, "beta": 59.99998511, "c": 4.59529317, "gamma": 59.99999216, "matrix": [ [ 3.9796378869, 0, 2.2976463842 ], [ 1.3265466646, 3.7520406339, 2.2976471279 ], [ 0, 0, 4.59529317 ] ], "volume": 68.6158288047 }, "sites": [ { "abc": [ 0.75, 0.75, 0.75 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 3.9796384136, 2.8140304754, 6.8929400116 ] }, { "abc": [ 0.250003, 0.249999, 0.249999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.3265567502, 0.9380064064, 2.2976466705 ] }, { "abc": [ 0, 0, 0 ], "label": "Ir", "species": [ { "element": "Ir", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.49999699999999997, 0.500001, 0.500001 ], "label": "Ir", "species": [ { "element": "Ir", "occu": 1 } ], "xyz": [ 2.6530816634, 1.876024069, 4.5952933411 ] } ] }
wbm-1-176
wbm-1-176
[ [ 0.75, 0.75, 0.75 ], [ 0.250003, 0.249999, 0.249999 ], [ 0, 0, 0 ], [ 0.49999699999999997, 0.500001, 0.500001 ] ]
[ [ 3.9796384136249996, 2.814030475425, 6.892940011575 ], [ 1.326556750241996, 0.9380064064343662, 2.2976466705238545 ], [ 0, 0, 0 ], [ 2.653081663383004, 1.876024068990634, 4.595293341051145 ] ]
[ [ 3.9796384136249996, 2.814030475425, 6.892940011575 ], [ 1.326556750241996, 0.9380064064343662, 2.2976466705238545 ], [ 0, 0, 0 ], [ 2.653081663383004, 1.876024068990634, 4.595293341051145 ] ]
[ [ 3.9796378869, 0, 2.2976463842 ], [ 1.3265466646, 3.7520406339, 2.2976471279 ], [ 0, 0, 4.59529317 ] ]
4
[ 48, 47, 77, 77 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Cd1 La2
4
117.23
-14.755
-0.29
0.015
0
ABC2_cF16_225_a_b_c:Ag-Cd-La
-14.755284
0
0
-0.281946
-0.281946
0.007403
0.048271
ABC2_cF16_225_a_b_c:Ag-Cd-La
true
Ag1 Cd1 La2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.38064976, "alpha": 60, "b": 5.38064976, "beta": 60, "c": 5.38064976, "gamma": 60, "matrix": [ [ 4.659779381, 0, 2.69032488 ], [ 1.5532597937000001, 4.3932821322, 2.69032488 ], [ 0, 0, 5.38064976 ] ], "volume": 110.1511848699 }, "sites": [ { "abc": [ 0.5, 0.5, 0.5 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 3.1065195874000002, 2.1966410661, 5.38064976 ] }, { "abc": [ 0, 0, 0 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 4.659779381, 3.2949615992, 8.07097464 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5532597937000001, 1.0983205331, 2.69032488 ] } ] }
wbm-1-177
wbm-1-177
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
[ [ 3.1065195873500002, 2.1966410661, 5.38064976 ], [ 0, 0, 0 ], [ 4.659779381025, 3.2949615991500005, 8.07097464 ], [ 1.5532597936750001, 1.09832053305, 2.69032488 ] ]
[ [ 3.1065195873500002, 2.1966410661, 5.38064976 ], [ 0, 0, 0 ], [ 4.659779381025, 3.2949615991500005, 8.07097464 ], [ 1.5532597936750001, 1.09832053305, 2.69032488 ] ]
[ [ 4.659779381, 0, 2.69032488 ], [ 1.5532597937000001, 4.3932821322, 2.69032488 ], [ 0, 0, 5.38064976 ] ]
4
[ 57, 57, 48, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag3 Cd3 La3
9
234.54
-29.154
-0.349
-0.01
0
ABC_hP9_189_ad_g_f:Ag-Cd-La
-29.15355
0
0
-0.342117
-0.342117
-0.009137
0.391917
ABC_hP9_189_ad_g_f:Ag-Cd-La
true
Ag3 Cd3 La3
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.2194863, "alpha": 120.00000199, "b": 7.97003462, "beta": 90, "c": 7.97003462, "gamma": 90, "matrix": [ [ 4.2194863, 0, 2.583690196e-16 ], [ 0, 6.9022523116, -3.9850175497 ], [ 0, 0, 7.97003462 ] ], "volume": 232.1189620414 }, "sites": [ { "abc": [ 0, 0.591083, 0.591083 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 6.560825224e-16, 4.0798040031, 2.3554758449 ] }, { "abc": [ 0, 0.408917, 0 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 4.538843052e-16, 2.8224483085000003, -1.6295414214 ] }, { "abc": [ 0, 0, 0.408917 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 0, 0, 3.2590826467 ] }, { "abc": [ 0.5, 0.24956799999999998, 0.24956799999999998 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 2.10974315, 1.7225813049, 0.9945327402 ] }, { "abc": [ 0.5, 0.750432, 0 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 2.10974315, 5.1796710067, -2.9904846899 ] }, { "abc": [ 0.5, 0, 0.750432 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 2.10974315, 0, 5.98096902 ] }, { "abc": [ 0.5, 0.33333333330000003, 0.6666666667000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.10974315, 2.3007507705, 3.9850172301 ] }, { "abc": [ 0.5, 0.6666666667000001, 0.33333333330000003 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.10974315, 4.601501541, -1.5980000000000001e-7 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-178
wbm-1-178
[ [ 0, 0.591083, 0.591083 ], [ 0, 0.408917, 0 ], [ 0, 0, 0.408917 ], [ 0.5, 0.24956799999999998, 0.24956799999999998 ], [ 0.5, 0.750432, 0 ], [ 0.5, 0, 0.750432 ], [ 0.5, 0.33333333330000003, 0.6666666667000001 ], [ 0.5, 0.6666666667000001, 0.33333333330000003 ], [ 0, 0, 0 ] ]
[ [ 0, 4.079804003097463, 2.3554758449641344 ], [ 0, 2.822448308502537, -1.629541421370675 ], [ 0, 0, 3.2590826467065397 ], [ 2.10974315, 1.7225813049013887, 0.9945327402006303 ], [ 2.10974315, 5.179671006698611, -2.9904846898564705 ], [ 2.10974315, 0, 5.98096901995584 ], [ 2.10974315, 2.3007507703032584, 3.9850172304985025 ], [ 2.10974315, 4.601501541296742, -1.601985015753371e-7 ], [ 0, 0, 0 ] ]
[ [ 0, 4.079804003097463, 2.3554758449641344 ], [ 0, 2.822448308502537, -1.629541421370675 ], [ 0, 0, 3.2590826467065397 ], [ 2.10974315, 1.7225813049013887, 0.9945327402006303 ], [ 2.10974315, 5.179671006698611, -2.9904846898564705 ], [ 2.10974315, 0, 5.98096901995584 ], [ 2.10974315, 2.3007507703032584, 3.9850172304985025 ], [ 2.10974315, 4.601501541296742, -1.601985015753371e-7 ], [ 0, 0, 0 ] ]
[ [ 4.2194863, 0, 2.583690196e-16 ], [ 0, 6.9022523116, -3.9850175497 ], [ 0, 0, 7.97003462 ] ]
9
[ 57, 57, 57, 48, 48, 48, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 3, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Cd1 Nd2
4
110.46
-14.407
-0.283
0.012
0
ABC2_cF16_225_a_b_c:Ag-Cd-Nd
-14.406781
0
0
-0.27877
-0.27877
0.008145
0.45386
ABC2_cF16_225_a_b_c:Ag-Cd-Nd
false
Ag1 Cd1 Nd2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.94605728, "alpha": 60, "b": 4.94605728, "beta": 60, "c": 4.94605728, "gamma": 60, "matrix": [ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ], "volume": 85.5583551958 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Nd", "species": [ { "element": "Nd", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Nd", "species": [ { "element": "Nd", "occu": 1 } ], "xyz": [ 2.855607502, 2.0192194291, 4.94605728 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 4.2834112531, 3.0288291436, 7.41908592 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.427803751, 1.0096097145, 2.47302864 ] } ] }
wbm-1-179
wbm-1-179
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ]
4
[ 60, 60, 48, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Cd1 Pt2
4
68.39
-16.208
-0.088
0.096
0
ABC2_cF16_225_a_b_c:Ag-Cd-Pt
-16.207912
0
0
-0.077553
-0.077553
0.093133
0.003146
ABC2_cF16_225_a_b_c:Ag-Cd-Pt
true
Ag1 Cd1 Pt2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.5952907, "alpha": 59.9999906, "b": 4.59529295, "beta": 59.99998511, "c": 4.59529317, "gamma": 59.99999216, "matrix": [ [ 3.9796378869, 0, 2.2976463842 ], [ 1.3265466646, 3.7520406339, 2.2976471279 ], [ 0, 0, 4.59529317 ] ], "volume": 68.6158288047 }, "sites": [ { "abc": [ 0.75, 0.75, 0.75 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 3.9796384136, 2.8140304754, 6.8929400116 ] }, { "abc": [ 0.250003, 0.249999, 0.249999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.3265567502, 0.9380064064, 2.2976466705 ] }, { "abc": [ 0, 0, 0 ], "label": "Pt", "species": [ { "element": "Pt", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.49999699999999997, 0.500001, 0.500001 ], "label": "Pt", "species": [ { "element": "Pt", "occu": 1 } ], "xyz": [ 2.6530816634, 1.876024069, 4.5952933411 ] } ] }
wbm-1-180
wbm-1-180
[ [ 0.75, 0.75, 0.75 ], [ 0.250003, 0.249999, 0.249999 ], [ 0, 0, 0 ], [ 0.49999699999999997, 0.500001, 0.500001 ] ]
[ [ 3.9796384136249996, 2.814030475425, 6.892940011575 ], [ 1.326556750241996, 0.9380064064343662, 2.2976466705238545 ], [ 0, 0, 0 ], [ 2.653081663383004, 1.876024068990634, 4.595293341051145 ] ]
[ [ 3.9796384136249996, 2.814030475425, 6.892940011575 ], [ 1.326556750241996, 0.9380064064343662, 2.2976466705238545 ], [ 0, 0, 0 ], [ 2.653081663383004, 1.876024068990634, 4.595293341051145 ] ]
[ [ 3.9796378869, 0, 2.2976463842 ], [ 1.3265466646, 3.7520406339, 2.2976471279 ], [ 0, 0, 4.59529317 ] ]
4
[ 48, 47, 78, 78 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Cd1 Pu2
4
103.89
-31.909
0.124
0.174
0
ABC2_cF16_225_a_b_c:Ag-Cd-Pu
-31.912868
0
0
0.094558
0.094558
0.126348
0.392082
ABC2_cF16_225_a_b_c:Ag-Cd-Pu
true
Ag1 Cd1 Pu2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.94605728, "alpha": 60, "b": 4.94605728, "beta": 60, "c": 4.94605728, "gamma": 60, "matrix": [ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ], "volume": 85.5583551958 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Pu", "species": [ { "element": "Pu", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Pu", "species": [ { "element": "Pu", "occu": 1 } ], "xyz": [ 2.855607502, 2.0192194291, 4.94605728 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 4.2834112531, 3.0288291436, 7.41908592 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.427803751, 1.0096097145, 2.47302864 ] } ] }
wbm-1-181
wbm-1-181
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ]
4
[ 94, 94, 48, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag2 Cd2 Sb2
6
141.79
-15.67
0.012
0.057
0
ABC_tP6_129_a_c_c:Ag-Cd-Sb
-15.670306
-0.064
0
0.016449
-0.047551
0.043233
0.082281
ABC_tP6_129_a_c_c:Ag-Cd-Sb
true
Ag2 Cd2 Sb2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.45721147, "alpha": 90, "b": 4.45721147, "beta": 90, "c": 6.87363382, "gamma": 90, "matrix": [ [ 4.45721147, 0, 2.72925488e-16 ], [ 7.167742718999999e-16, 4.45721147, 2.72925488e-16 ], [ 0, 0, 6.87363382 ] ], "volume": 136.5566553223 }, "sites": [ { "abc": [ 0.75, 0.75, 0.7003119999999999 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 3.3429086025, 3.3429086025, 4.8136882478 ] }, { "abc": [ 0.25, 0.25, 0.299688 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 1.1143028675, 1.1143028675, 2.0599455722 ] }, { "abc": [ 0.75, 0.25, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.3429086025, 1.1143028675, 2.72925488e-16 ] }, { "abc": [ 0.25, 0.75, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.1143028675, 3.3429086025, 2.72925488e-16 ] }, { "abc": [ 0.75, 0.75, 0.28016399999999997 ], "label": "Sb", "species": [ { "element": "Sb", "occu": 1 } ], "xyz": [ 3.3429086025, 3.3429086025, 1.9257447455 ] }, { "abc": [ 0.25, 0.25, 0.7198359999999999 ], "label": "Sb", "species": [ { "element": "Sb", "occu": 1 } ], "xyz": [ 1.1143028675, 1.1143028675, 4.9478890745 ] } ] }
wbm-1-182
wbm-1-182
[ [ 0.75, 0.75, 0.7003119999999999 ], [ 0.25, 0.25, 0.299688 ], [ 0.75, 0.25, 0 ], [ 0.25, 0.75, 0 ], [ 0.75, 0.75, 0.28016399999999997 ], [ 0.25, 0.25, 0.7198359999999999 ] ]
[ [ 3.3429086025, 3.3429086024999997, 4.8136882477518395 ], [ 1.1143028675000002, 1.1143028675, 2.0599455722481603 ], [ 3.3429086024999997, 1.1143028675, 2.72925488e-16 ], [ 1.1143028675000004, 3.3429086024999997, 2.72925488e-16 ], [ 3.3429086025, 3.3429086024999997, 1.9257447455464802 ], [ 1.1143028675000002, 1.1143028675, 4.94788907445352 ] ]
[ [ 3.3429086025, 3.3429086024999997, 4.8136882477518395 ], [ 1.1143028675000002, 1.1143028675, 2.0599455722481603 ], [ 3.3429086024999997, 1.1143028675, 2.72925488e-16 ], [ 1.1143028675000004, 3.3429086024999997, 2.72925488e-16 ], [ 3.3429086025, 3.3429086024999997, 1.9257447455464802 ], [ 1.1143028675000002, 1.1143028675, 4.94788907445352 ] ]
[ [ 4.45721147, 0, 2.72925488e-16 ], [ 7.167742718999999e-16, 4.45721147, 2.72925488e-16 ], [ 0, 0, 6.87363382 ] ]
6
[ 48, 48, 47, 47, 51, 51 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 2, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Cd1 Sm2
4
106.57
-14.346
-0.292
0.013
0
ABC2_cF16_225_a_b_c:Ag-Cd-Sm
-14.345582
0
0
-0.28822
-0.28822
0.010041
0.409075
ABC2_cF16_225_a_b_c:Ag-Cd-Sm
true
Ag1 Cd1 Sm2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.94605728, "alpha": 60, "b": 4.94605728, "beta": 60, "c": 4.94605728, "gamma": 60, "matrix": [ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ], "volume": 85.5583551958 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Sm", "species": [ { "element": "Sm", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Sm", "species": [ { "element": "Sm", "occu": 1 } ], "xyz": [ 2.855607502, 2.0192194291, 4.94605728 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 4.2834112531, 3.0288291436, 7.41908592 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.427803751, 1.0096097145, 2.47302864 ] } ] }
wbm-1-183
wbm-1-183
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ]
4
[ 62, 62, 48, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Cd1 Tb2
4
101.71
-14.234
-0.309
0.015
0
ABC2_cF16_225_a_b_c:Ag-Cd-Tb
-14.23371
0
0
-0.302353
-0.302353
0.013041
0.316903
ABC2_cF16_225_a_b_c:Ag-Cd-Tb
true
Ag1 Cd1 Tb2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.94605728, "alpha": 60, "b": 4.94605728, "beta": 60, "c": 4.94605728, "gamma": 60, "matrix": [ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ], "volume": 85.5583551958 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Tb", "species": [ { "element": "Tb", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Tb", "species": [ { "element": "Tb", "occu": 1 } ], "xyz": [ 2.855607502, 2.0192194291, 4.94605728 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 4.2834112531, 3.0288291436, 7.41908592 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.427803751, 1.0096097145, 2.47302864 ] } ] }
wbm-1-184
wbm-1-184
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ]
4
[ 65, 65, 48, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Cd1 Th2
4
109.32
-18.686
-0.031
0.109
0
ABC2_cF16_225_a_b_c:Ag-Cd-Th
-18.686417
0
0
-0.025779
-0.025779
0.106484
0.483913
ABC2_cF16_225_a_b_c:Ag-Cd-Th
true
Ag1 Cd1 Th2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.94605728, "alpha": 60, "b": 4.94605728, "beta": 60, "c": 4.94605728, "gamma": 60, "matrix": [ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ], "volume": 85.5583551958 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Th", "species": [ { "element": "Th", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Th", "species": [ { "element": "Th", "occu": 1 } ], "xyz": [ 2.855607502, 2.0192194291, 4.94605728 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 4.2834112531, 3.0288291436, 7.41908592 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.427803751, 1.0096097145, 2.47302864 ] } ] }
wbm-1-185
wbm-1-185
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ]
4
[ 90, 90, 48, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Cd1 Tm2
4
96.73
-13.957
-0.314
0.014
0
ABC2_cF16_225_a_b_c:Ag-Cd-Tm
-13.956747
0
0
-0.312412
-0.312412
0.020084
0.267282
ABC2_cF16_225_a_b_c:Ag-Cd-Tm
true
Ag1 Cd1 Tm2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.94605728, "alpha": 60, "b": 4.94605728, "beta": 60, "c": 4.94605728, "gamma": 60, "matrix": [ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ], "volume": 85.5583551958 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Tm", "species": [ { "element": "Tm", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Tm", "species": [ { "element": "Tm", "occu": 1 } ], "xyz": [ 2.855607502, 2.0192194291, 4.94605728 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 4.2834112531, 3.0288291436, 7.41908592 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.427803751, 1.0096097145, 2.47302864 ] } ] }
wbm-1-186
wbm-1-186
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ]
4
[ 69, 69, 48, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Cd1 U2
4
99.3
-23.657
0.668
0.7
0
ABC2_cF16_225_a_b_c:Ag-Cd-U
-23.656853
0
0
0.670362
0.670362
0.702138
0.335432
ABC2_cF16_225_a_b_c:Ag-Cd-U
true
Ag1 Cd1 U2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.94605728, "alpha": 60, "b": 4.94605728, "beta": 60, "c": 4.94605728, "gamma": 60, "matrix": [ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ], "volume": 85.5583551958 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "U", "species": [ { "element": "U", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "U", "species": [ { "element": "U", "occu": 1 } ], "xyz": [ 2.855607502, 2.0192194291, 4.94605728 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 4.2834112531, 3.0288291436, 7.41908592 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.427803751, 1.0096097145, 2.47302864 ] } ] }
wbm-1-187
wbm-1-187
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ]
4
[ 92, 92, 48, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag4 Cd4
8
160.05
-15.227
-0.032
0.031
0
AB_cP8_198_a_a:Ag-Cd
-15.226851
0
0
-0.025606
-0.025606
0.037936
0.03015
AB_cP8_198_a_a:Ag-Cd
true
Ag4 Cd4
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.53146342, "alpha": 90, "b": 5.53146342, "beta": 90, "c": 5.53146342, "gamma": 90, "matrix": [ [ 5.53146342, 0, 3.387044486e-16 ], [ 8.895271612e-16, 5.53146342, 3.387044486e-16 ], [ 0, 0, 5.53146342 ] ], "volume": 169.2466706343 }, "sites": [ { "abc": [ 0.154768, 0.154768, 0.154768 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 0.8560935306, 0.8560935306, 0.8560935306 ] }, { "abc": [ 0.345232, 0.845232, 0.654768 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 1.9096381794, 4.6753698894, 3.6218252405999998 ] }, { "abc": [ 0.654768, 0.345232, 0.845232 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 3.6218252405999998, 1.9096381794, 4.6753698894 ] }, { "abc": [ 0.845232, 0.654768, 0.345232 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 4.6753698894, 3.6218252405999998, 1.9096381794 ] }, { "abc": [ 0.148817, 0.35118299999999997, 0.648817 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.8231757918, 1.9425559182, 3.5889075018 ] }, { "abc": [ 0.35118299999999997, 0.648817, 0.148817 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.9425559182, 3.5889075018, 0.8231757918 ] }, { "abc": [ 0.648817, 0.148817, 0.35118299999999997 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.5889075018, 0.8231757918, 1.9425559182 ] }, { "abc": [ 0.8511829999999999, 0.8511829999999999, 0.8511829999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.7082876282, 4.7082876282, 4.7082876282 ] } ] }
wbm-1-188
wbm-1-188
[ [ 0.154768, 0.154768, 0.154768 ], [ 0.345232, 0.845232, 0.654768 ], [ 0.654768, 0.345232, 0.845232 ], [ 0.845232, 0.654768, 0.345232 ], [ 0.148817, 0.35118299999999997, 0.648817 ], [ 0.35118299999999997, 0.648817, 0.148817 ], [ 0.648817, 0.148817, 0.35118299999999997 ], [ 0.8511829999999999, 0.8511829999999999, 0.8511829999999999 ] ]
[ [ 0.85609353058656, 0.8560935305865599, 0.85609353058656 ], [ 1.9096381794134405, 4.67536988941344, 3.6218252405865603 ], [ 3.6218252405865603, 1.9096381794134398, 4.67536988941344 ], [ 4.675369889413441, 3.62182524058656, 1.9096381794134403 ], [ 0.8231757917741404, 1.9425559182258596, 3.58890750177414 ], [ 1.9425559182258603, 3.58890750177414, 0.8231757917741404 ], [ 3.58890750177414, 0.82317579177414, 1.9425559182258598 ], [ 4.70828762822586, 4.708287628225859, 4.70828762822586 ] ]
[ [ 0.85609353058656, 0.8560935305865599, 0.85609353058656 ], [ 1.9096381794134405, 4.67536988941344, 3.6218252405865603 ], [ 3.6218252405865603, 1.9096381794134398, 4.67536988941344 ], [ 4.675369889413441, 3.62182524058656, 1.9096381794134403 ], [ 0.8231757917741404, 1.9425559182258596, 3.58890750177414 ], [ 1.9425559182258603, 3.58890750177414, 0.8231757917741404 ], [ 3.58890750177414, 0.82317579177414, 1.9425559182258598 ], [ 4.70828762822586, 4.708287628225859, 4.70828762822586 ] ]
[ [ 5.53146342, 0, 3.387044486e-16 ], [ 8.895271612e-16, 5.53146342, 3.387044486e-16 ], [ 0, 0, 5.53146342 ] ]
8
[ 48, 48, 48, 48, 47, 47, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 4, 4, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag2 Cd2
4
77.65
-7.747
-0.065
-0.002
0
AB_cP2_221_a_b:Ag-Cd
-7.746624
0
0
-0.058906
-0.058906
0.004636
0
AB_cP2_221_a_b:Ag-Cd
false
Ag2 Cd2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.80149856, "alpha": 59.99999992, "b": 4.80149856, "beta": 59.9999999, "c": 4.80149855, "gamma": 60, "matrix": [ [ 4.158219725, 0, 2.4007492873 ], [ 1.3860732369, 3.9204071562, 2.4007492858 ], [ 0, 0, 4.80149855 ] ], "volume": 78.2736181949 }, "sites": [ { "abc": [ 0.25, 0.25, 0.25 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 1.3860732405, 0.9801017890000001, 2.4007492808 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 4.1582197214, 2.9403053671, 7.2022478423 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.772146481, 1.9602035781, 4.8014985615 ] } ] }
wbm-1-189
wbm-1-189
[ [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
[ [ 1.386073240475, 0.98010178905, 2.400749280775 ], [ 4.1582197214250005, 2.94030536715, 7.202247842325 ], [ 0, 0, 0 ], [ 2.77214648095, 1.9602035781, 4.80149856155 ] ]
[ [ 1.386073240475, 0.98010178905, 2.400749280775 ], [ 4.1582197214250005, 2.94030536715, 7.202247842325 ], [ 0, 0, 0 ], [ 2.77214648095, 1.9602035781, 4.80149856155 ] ]
[ [ 4.158219725, 0, 2.4007492873 ], [ 1.3860732369, 3.9204071562, 2.4007492858 ], [ 0, 0, 4.80149855 ] ]
4
[ 48, 48, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag2 Cd2
4
77.4
-7.744
-0.064
-0.001
0
AB_oP4_51_e_f:Ag-Cd
-7.743733
0
0
-0.058183
-0.058183
0.005359
0.225401
AB_oP4_51_e_f:Ag-Cd
true
Ag2 Cd2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 3.08707899, "alpha": 90, "b": 4.91961216, "beta": 90, "c": 5.1531902800000005, "gamma": 90, "matrix": [ [ 3.08707899, 0, 1.890290702e-16 ], [ 7.911339742e-16, 4.91961216, 3.012393642e-16 ], [ 0, 0, 5.1531902800000005 ] ], "volume": 78.2626929115 }, "sites": [ { "abc": [ 0, 0.75, 0.694155 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 5.933504807e-16, 3.68970912, 3.5771127988 ] }, { "abc": [ 0, 0.25, 0.305845 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 1.977834936e-16, 1.22990304, 1.5760774812 ] }, { "abc": [ 0.5, 0.75, 0.18925899999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.543539495, 3.68970912, 0.9752876392000001 ] }, { "abc": [ 0.5, 0.25, 0.8107409999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.543539495, 1.22990304, 4.1779026408 ] } ] }
wbm-1-190
wbm-1-190
[ [ 0, 0.75, 0.694155 ], [ 0, 0.25, 0.305845 ], [ 0.5, 0.75, 0.18925899999999998 ], [ 0.5, 0.25, 0.8107409999999999 ] ]
[ [ 5.9335048065e-16, 3.68970912, 3.5771127988134004 ], [ 1.9778349355e-16, 1.22990304, 1.5760774811866 ], [ 1.5435394950000008, 3.68970912, 0.9752876392025204 ], [ 1.5435394950000003, 1.22990304, 4.17790264079748 ] ]
[ [ 5.9335048065e-16, 3.68970912, 3.5771127988134004 ], [ 1.9778349355e-16, 1.22990304, 1.5760774811866 ], [ 1.5435394950000008, 3.68970912, 0.9752876392025204 ], [ 1.5435394950000003, 1.22990304, 4.17790264079748 ] ]
[ [ 3.08707899, 0, 1.890290702e-16 ], [ 7.911339742e-16, 4.91961216, 3.012393642e-16 ], [ 0, 0, 5.1531902800000005 ] ]
4
[ 48, 48, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Cd1 Yb2
4
103.11
-8.399
-0.4
0.02
0
ABC2_cF16_225_a_b_c:Ag-Cd-Yb
-8.399245
0
0
-0.391136
-0.391136
0.014455
0.339349
ABC2_cF16_225_a_b_c:Ag-Cd-Yb
true
Ag1 Cd1 Yb2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.94605728, "alpha": 60, "b": 4.94605728, "beta": 60, "c": 4.94605728, "gamma": 60, "matrix": [ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ], "volume": 85.5583551958 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Yb", "species": [ { "element": "Yb", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Yb", "species": [ { "element": "Yb", "occu": 1 } ], "xyz": [ 2.855607502, 2.0192194291, 4.94605728 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Cd", "species": [ { "element": "Cd", "occu": 1 } ], "xyz": [ 4.2834112531, 3.0288291436, 7.41908592 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.427803751, 1.0096097145, 2.47302864 ] } ] }
wbm-1-191
wbm-1-191
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 0, 0, 0 ], [ 2.85560750205, 2.0192194291, 4.94605728 ], [ 4.283411253075, 3.0288291436500003, 7.41908592 ], [ 1.427803751025, 1.00960971455, 2.47302864 ] ]
[ [ 4.2834112531, 0, 2.47302864 ], [ 1.427803751, 4.0384388582, 2.47302864 ], [ 0, 0, 4.94605728 ] ]
4
[ 70, 70, 48, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Au1 Ce2
4
101.51
-19.274
-0.326
0.058
0
ABC2_cF16_225_a_b_c:Ag-Au-Ce
-19.274306
0
0
-0.325401
-0.325401
0.065178
0.470748
ABC2_cF16_225_a_b_c:Ag-Au-Ce
true
Ag1 Au1 Ce2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.84196382, "alpha": 60, "b": 4.84196382, "beta": 60, "c": 4.84196382, "gamma": 60, "matrix": [ [ 4.1932636723, 0, 2.42098191 ], [ 1.3977545574, 3.953446904, 2.42098191 ], [ 0, 0, 4.84196382 ] ], "volume": 80.269327074 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Ce", "species": [ { "element": "Ce", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], "label": "Ce", "species": [ { "element": "Ce", "occu": 1 } ], "xyz": [ 2.7955202969, 1.9767194986, 4.84196382 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.3977545574, 0.988361726, 2.42098191 ] }, { "abc": [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ], "label": "Au", "species": [ { "element": "Au", "occu": 1 } ], "xyz": [ 4.1932524903, 2.9650891315, 7.26294573 ] } ] }
wbm-1-192
wbm-1-192
[ [ 0, 0, 0 ], [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], [ 0.25, 0.25, 0.25 ], [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ] ]
[ [ 0, 0, 0 ], [ 2.795520296886459, 1.976719498553096, 4.84196382 ], [ 1.3977545574249999, 0.988361726, 2.42098191 ], [ 4.19325249023854, 2.965089131446904, 7.26294573 ] ]
[ [ 0, 0, 0 ], [ 2.795520296886459, 1.976719498553096, 4.84196382 ], [ 1.3977545574249999, 0.988361726, 2.42098191 ], [ 4.19325249023854, 2.965089131446904, 7.26294573 ] ]
[ [ 4.1932636723, 0, 2.42098191 ], [ 1.3977545574, 3.953446904, 2.42098191 ], [ 0, 0, 4.84196382 ] ]
4
[ 58, 58, 47, 79 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Ce2 Hg1
4
107.44
-15.656
-0.164
0.053
0
AB2C_cF16_225_a_c_b:Ag-Ce-Hg
-15.656168
0
0
-0.163417
-0.163417
0.048593
0.320804
AB2C_cF16_225_a_c_b:Ag-Ce-Hg
false
Ag1 Ce2 Hg1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.92947305, "alpha": 60, "b": 4.92947305, "beta": 60, "c": 4.92947305, "gamma": 60, "matrix": [ [ 4.2690488886, 0, 2.464736525 ], [ 1.4230162962000001, 4.0248978911, 2.464736525 ], [ 0, 0, 4.92947305 ] ], "volume": 84.7006010213 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Ce", "species": [ { "element": "Ce", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Ce", "species": [ { "element": "Ce", "occu": 1 } ], "xyz": [ 2.8460325924000003, 2.0124489456, 4.92947305 ] }, { "abc": [ 0.249997, 0.250001, 0.250001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.4230049121000001, 1.0062284977, 2.464736525 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Hg", "species": [ { "element": "Hg", "occu": 1 } ], "xyz": [ 4.2690488886, 3.0186734183, 7.394209575 ] } ] }
wbm-1-193
wbm-1-193
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.249997, 0.250001, 0.250001 ], [ 0.75, 0.75, 0.75 ] ]
[ [ 0, 0, 0 ], [ 2.8460325924000003, 2.01244894555, 4.92947305 ], [ 1.4230049120696304, 1.006228497672891, 2.464736525 ], [ 4.2690488886, 3.018673418325, 7.3942095750000005 ] ]
[ [ 0, 0, 0 ], [ 2.8460325924000003, 2.01244894555, 4.92947305 ], [ 1.4230049120696304, 1.006228497672891, 2.464736525 ], [ 4.2690488886, 3.018673418325, 7.3942095750000005 ] ]
[ [ 4.2690488886, 0, 2.464736525 ], [ 1.4230162962000001, 4.0248978911, 2.464736525 ], [ 0, 0, 4.92947305 ] ]
4
[ 58, 58, 47, 80 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Ce2 Ir1
4
92.08
-25.026
-0.366
0.105
0
AB2C_cF16_225_a_c_b:Ag-Ce-Ir
-25.026146
0
0
-0.372237
-0.372237
0.113409
0.105175
AB2C_cF16_225_a_c_b:Ag-Ce-Ir
true
Ag1 Ce2 Ir1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.99356391, "alpha": 60, "b": 4.99356391, "beta": 60, "c": 4.99356391, "gamma": 60, "matrix": [ [ 4.3245532015, 0, 2.496781955 ], [ 1.4415177338, 4.0772278592, 2.496781955 ], [ 0, 0, 4.99356391 ] ], "volume": 88.0474616035 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Ce", "species": [ { "element": "Ce", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.49999699999999997, 0.500001, 0.500001 ], "label": "Ce", "species": [ { "element": "Ce", "occu": 1 } ], "xyz": [ 2.8830239355, 2.0386180068, 4.99356391 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.4415177338, 1.0193069648, 2.496781955 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Ir", "species": [ { "element": "Ir", "occu": 1 } ], "xyz": [ 4.3245532015, 3.0579208944, 7.490345865 ] } ] }
wbm-1-194
wbm-1-194
[ [ 0, 0, 0 ], [ 0.49999699999999997, 0.500001, 0.500001 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ] ]
[ [ 0, 0, 0 ], [ 2.883023935508129, 2.038618006827859, 4.993563909999999 ], [ 1.441517733825, 1.0193069648, 2.496781955 ], [ 4.324553201475, 3.0579208943999996, 7.490345865 ] ]
[ [ 0, 0, 0 ], [ 2.883023935508129, 2.038618006827859, 4.993563909999999 ], [ 1.441517733825, 1.0193069648, 2.496781955 ], [ 4.324553201475, 3.0579208943999996, 7.490345865 ] ]
[ [ 4.3245532015, 0, 2.496781955 ], [ 1.4415177338, 4.0772278592, 2.496781955 ], [ 0, 0, 4.99356391 ] ]
4
[ 58, 58, 47, 77 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Ce2 Os1
4
90.44
-26.254
-0.085
0.099
0
AB2C_cF16_225_a_c_b:Ag-Ce-Os
-26.254348
0
0
-0.082037
-0.082037
0.094764
0.179155
AB2C_cF16_225_a_c_b:Ag-Ce-Os
true
Ag1 Ce2 Os1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.68211335, "alpha": 60, "b": 4.68211335, "beta": 60, "c": 4.68211335, "gamma": 60, "matrix": [ [ 4.0548291045, 0, 2.341056675 ], [ 1.3516097015000001, 3.8229295417999998, 2.341056675 ], [ 0, 0, 4.68211335 ] ], "volume": 72.5789652692 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Ce", "species": [ { "element": "Ce", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Ce", "species": [ { "element": "Ce", "occu": 1 } ], "xyz": [ 2.7032194030000003, 1.9114647708999999, 4.68211335 ] }, { "abc": [ 0.250003, 0.249999, 0.249999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.3516205144, 0.9557285625, 2.341056675 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Os", "species": [ { "element": "Os", "occu": 1 } ], "xyz": [ 4.0548291045, 2.8671971563, 7.023170025 ] } ] }
wbm-1-195
wbm-1-195
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.250003, 0.249999, 0.249999 ], [ 0.75, 0.75, 0.75 ] ]
[ [ 0, 0, 0 ], [ 2.703219403, 1.9114647708999999, 4.68211335 ], [ 1.3516205143776119, 0.9557285625204581, 2.341056675 ], [ 4.0548291045, 2.8671971563499996, 7.023170025 ] ]
[ [ 0, 0, 0 ], [ 2.703219403, 1.9114647708999999, 4.68211335 ], [ 1.3516205143776119, 0.9557285625204581, 2.341056675 ], [ 4.0548291045, 2.8671971563499996, 7.023170025 ] ]
[ [ 4.0548291045, 0, 2.341056675 ], [ 1.3516097015000001, 3.8229295417999998, 2.341056675 ], [ 0, 0, 4.68211335 ] ]
4
[ 58, 58, 47, 76 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Ce2
3
70.32
-14.683
0.005
0.096
0
AB2_tI6_139_a_e:Ag-Ce
-14.682766
0
0
0.005345
0.005345
0.097837
1.240017
AB2_tI6_139_a_e:Ag-Ce
true
Ag1 Ce2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 3.26198926, "alpha": 104.48503731, "b": 3.26198925, "beta": 104.48503733, "c": 6.52066167, "gamma": 90, "matrix": [ [ 3.1583003864, 0, -0.8159121286000001 ], [ -0.21078191340000002, 3.1512588368, -0.8159121250000001 ], [ 0, 0, 6.52066167 ] ], "volume": 64.8976808035 }, "sites": [ { "abc": [ 0.663532, 0.663532, 0.327065 ], "label": "Ce", "species": [ { "element": "Ce", "occu": 1 } ], "xyz": [ 1.9557728274000001, 2.0909610785, 1.0499125985 ] }, { "abc": [ 0.336468, 0.336468, 0.672935 ], "label": "Ce", "species": [ { "element": "Ce", "occu": 1 } ], "xyz": [ 0.9917456456, 1.0602977583, 3.8389248179 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-196
wbm-1-196
[ [ 0.663532, 0.663532, 0.327065 ], [ 0.336468, 0.336468, 0.672935 ], [ 0, 0, 0 ] ]
[ [ 1.9557728274266362, 2.0909610784995776, 1.049912598458835 ], [ 0.991745645573364, 1.0602977583004223, 3.8389248179411646 ], [ 0, 0, 0 ] ]
[ [ 1.9557728274266362, 2.0909610784995776, 1.049912598458835 ], [ 0.991745645573364, 1.0602977583004223, 3.8389248179411646 ], [ 0, 0, 0 ] ]
[ [ 3.1583003864, 0, -0.8159121286000001 ], [ -0.21078191340000002, 3.1512588368, -0.8159121250000001 ], [ 0, 0, 6.52066167 ] ]
3
[ 58, 58, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag3 Ce3 Pb3
9
240.3
-40.067
-0.294
-0.022
0
ABC_hP9_189_f_g_bc:Ag-Ce-Pb
-40.043833
0
0
-0.289881
-0.289881
0.063223
0.128277
ABC_hP9_189_f_g_bc:Ag-Ce-Pb
true
Ag3 Ce3 Pb3
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.56053575, "alpha": 120.00000001, "b": 7.58176093, "beta": 90, "c": 7.58176093, "gamma": 90, "matrix": [ [ 4.56053575, 0, 2.792522754e-16 ], [ 0, 6.5659975701, -3.7908804661 ], [ 0, 0, 7.58176093 ] ], "volume": 227.0317873396 }, "sites": [ { "abc": [ 0.5, 0.425879, 0.425879 ], "label": "Ce", "species": [ { "element": "Ce", "occu": 1 } ], "xyz": [ 2.280267875, 2.7963204792000003, 1.6144563811000001 ] }, { "abc": [ 0.5, 0.574121, 0 ], "label": "Ce", "species": [ { "element": "Ce", "occu": 1 } ], "xyz": [ 2.280267875, 3.769677091, -2.1764240841 ] }, { "abc": [ 0.5, 0, 0.574121 ], "label": "Ce", "species": [ { "element": "Ce", "occu": 1 } ], "xyz": [ 2.280267875, 0, 4.3528481669 ] }, { "abc": [ 0, 0.752512, 0.752512 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 7.945721088e-16, 4.9409919635, 2.8526830396 ] }, { "abc": [ 0, 0.24748799999999999, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.613208322e-16, 1.6250056066, -0.9381974248 ] }, { "abc": [ 0, 0, 0.24748799999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 1.876394849 ] }, { "abc": [ 0.5, 0, 0 ], "label": "Pb", "species": [ { "element": "Pb", "occu": 1 } ], "xyz": [ 2.280267875, 0, 1.396261377e-16 ] }, { "abc": [ 0, 0.6666666667000001, 0.33333333330000003 ], "label": "Pb", "species": [ { "element": "Pb", "occu": 1 } ], "xyz": [ 7.039286274e-16, 4.3773317134, -8e-10 ] }, { "abc": [ 0, 0.33333333330000003, 0.6666666667000001 ], "label": "Pb", "species": [ { "element": "Pb", "occu": 1 } ], "xyz": [ 3.519643137e-16, 2.1886658567, 3.7908804646 ] } ] }
wbm-1-197
wbm-1-197
[ [ 0.5, 0.425879, 0.425879 ], [ 0.5, 0.574121, 0 ], [ 0.5, 0, 0.574121 ], [ 0, 0.752512, 0.752512 ], [ 0, 0.24748799999999999, 0 ], [ 0, 0, 0.24748799999999999 ], [ 0.5, 0, 0 ], [ 0, 0.6666666667000001, 0.33333333330000003 ], [ 0, 0.33333333330000003, 0.6666666667000001 ] ]
[ [ 2.280267875, 2.796320479156618, 1.6144563810852681 ], [ 2.280267875, 3.7696770909433823, -2.176424084077798 ], [ 2.280267875, 0, 4.35284816689253 ], [ 0, 4.940991963471091, 2.8526830396503167 ], [ 0, 1.625005606628909, -0.9381974247941567 ], [ 0, 0, 1.8763948490438398 ], [ 2.280267875, 0, 1.396261377e-16 ], [ 0, 4.377331713618867, -1.1124212662139144e-9 ], [ 0, 2.188665856481134, 3.7908804650124215 ] ]
[ [ 2.280267875, 2.796320479156618, 1.6144563810852681 ], [ 2.280267875, 3.7696770909433823, -2.176424084077798 ], [ 2.280267875, 0, 4.35284816689253 ], [ 0, 4.940991963471091, 2.8526830396503167 ], [ 0, 1.625005606628909, -0.9381974247941567 ], [ 0, 0, 1.8763948490438398 ], [ 2.280267875, 0, 1.396261377e-16 ], [ 0, 4.377331713618867, -1.1124212662139144e-9 ], [ 0, 2.188665856481134, 3.7908804650124215 ] ]
[ [ 4.56053575, 0, 2.792522754e-16 ], [ 0, 6.5659975701, -3.7908804661 ], [ 0, 0, 7.58176093 ] ]
9
[ 58, 58, 58, 47, 47, 47, 82, 82, 82 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 3, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag2 Ce2
4
91.31
-17.635
-0.027
0.11
0
AB_tP4_129_c_c:Ag-Ce
-17.635353
0
0
-0.025988
-0.025988
0.112755
0.74054
AB_tP4_129_c_c:Ag-Ce
true
Ag2 Ce2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 3.44515512, "alpha": 90, "b": 3.44515512, "beta": 90, "c": 6.65761521, "gamma": 90, "matrix": [ [ 3.44515512, 0, 2.1095490950000002e-16 ], [ 5.54023198e-16, 3.44515512, 2.1095490950000002e-16 ], [ 0, 0, 6.65761521 ] ], "volume": 79.0198594175 }, "sites": [ { "abc": [ 0.75, 0.75, 0.859966 ], "label": "Ce", "species": [ { "element": "Ce", "occu": 1 } ], "xyz": [ 2.58386634, 2.58386634, 5.7253227217 ] }, { "abc": [ 0.25, 0.25, 0.140034 ], "label": "Ce", "species": [ { "element": "Ce", "occu": 1 } ], "xyz": [ 0.86128878, 0.86128878, 0.9322924883 ] }, { "abc": [ 0.75, 0.75, 0.382944 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.58386634, 2.58386634, 2.549493799 ] }, { "abc": [ 0.25, 0.25, 0.6170559999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0.86128878, 0.86128878, 4.108121411 ] } ] }
wbm-1-198
wbm-1-198
[ [ 0.75, 0.75, 0.859966 ], [ 0.25, 0.25, 0.140034 ], [ 0.75, 0.75, 0.382944 ], [ 0.25, 0.25, 0.6170559999999999 ] ]
[ [ 2.5838663400000006, 2.58386634, 5.72532272168286 ], [ 0.8612887800000001, 0.86128878, 0.9322924883171401 ], [ 2.5838663400000006, 2.58386634, 2.5494937989782405 ], [ 0.8612887800000001, 0.86128878, 4.108121411021759 ] ]
[ [ 2.5838663400000006, 2.58386634, 5.72532272168286 ], [ 0.8612887800000001, 0.86128878, 0.9322924883171401 ], [ 2.5838663400000006, 2.58386634, 2.5494937989782405 ], [ 0.8612887800000001, 0.86128878, 4.108121411021759 ] ]
[ [ 3.44515512, 0, 2.1095490950000002e-16 ], [ 5.54023198e-16, 3.44515512, 2.1095490950000002e-16 ], [ 0, 0, 6.65761521 ] ]
4
[ 58, 58, 47, 47 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag2 Bi2 Cs4
8
367.88
-19.506
-0.309
-0.034
0.72
ABC2_oC16_63_a_c_g:Ag-Bi-Cs
-19.506272
0
0
-0.322309
-0.322309
-0.077202
0.775527
ABC2_oC16_63_a_c_g:Ag-Bi-Cs
true
Ag2 Bi2 Cs4
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 6.48468382, "alpha": 103.51263963, "b": 6.87111378, "beta": 90, "c": 6.87111378, "gamma": 90, "matrix": [ [ 6.48468382, 0, 3.970723642e-16 ], [ 0, 6.6809103427, -1.6055035255 ], [ 0, 0, 6.87111378 ] ], "volume": 297.6813245093 }, "sites": [ { "abc": [ 0.25194099999999997, 0.672895, 0.021384 ], "label": "Cs", "species": [ { "element": "Cs", "occu": 1 } ], "xyz": [ 1.6337577263, 4.4955511651, -0.9334033977 ] }, { "abc": [ 0.751941, 0.327105, 0.9786159999999999 ], "label": "Cs", "species": [ { "element": "Cs", "occu": 1 } ], "xyz": [ 4.8760996363, 2.1853591777, 6.1990136522 ] }, { "abc": [ 0.248059, 0.021384, 0.672895 ], "label": "Cs", "species": [ { "element": "Cs", "occu": 1 } ], "xyz": [ 1.6085841837000001, 0.1428645868, 4.5892060196 ] }, { "abc": [ 0.7480589999999999, 0.9786159999999999, 0.327105 ], "label": "Cs", "species": [ { "element": "Cs", "occu": 1 } ], "xyz": [ 4.8509260937, 6.538045756, 0.6764042349 ] }, { "abc": [ 0, 0.49936699999999995, 0.500633 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 5.365060844e-16, 3.3362261551, 2.638170826 ] }, { "abc": [ 0.5, 0.500633, 0.49936699999999995 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.24234191, 3.3446841876, 2.6274394285 ] }, { "abc": [ 0.25, 0.228767, 0.228767 ], "label": "Bi", "species": [ { "element": "Bi", "occu": 1 } ], "xyz": [ 1.6211709550000002, 1.5283718164, 1.2045978611 ] }, { "abc": [ 0.75, 0.771233, 0.771233 ], "label": "Bi", "species": [ { "element": "Bi", "occu": 1 } ], "xyz": [ 4.863512865, 5.1525385263, 4.0610123934 ] } ] }
wbm-1-199
wbm-1-199
[ [ 0.25194099999999997, 0.672895, 0.021384 ], [ 0.751941, 0.327105, 0.9786159999999999 ], [ 0.248059, 0.021384, 0.672895 ], [ 0.7480589999999999, 0.9786159999999999, 0.327105 ], [ 0, 0.49936699999999995, 0.500633 ], [ 0.5, 0.500633, 0.49936699999999995 ], [ 0.25, 0.228767, 0.228767 ], [ 0.75, 0.771233, 0.771233 ] ]
[ [ 1.6337577262946197, 4.495551165051117, -0.9334033977198025 ], [ 4.87609963629462, 2.185359177648883, 6.1990136522198025 ], [ 1.60858418370538, 0.1428645867682968, 4.589206019603808 ], [ 4.85092609370538, 6.5380457559317025, 0.6764042348961921 ], [ 0, 3.3362261551030703, 2.6381708260043815 ], [ 3.24234191, 3.344684187596929, 2.627439428495618 ], [ 1.621170955, 1.5283718163684508, 1.2045978610912016 ], [ 4.863512865, 5.152538526331549, 4.061012393408799 ] ]
[ [ 1.6337577262946197, 4.495551165051117, -0.9334033977198025 ], [ 4.87609963629462, 2.185359177648883, 6.1990136522198025 ], [ 1.60858418370538, 0.1428645867682968, 4.589206019603808 ], [ 4.85092609370538, 6.5380457559317025, 0.6764042348961921 ], [ 0, 3.3362261551030703, 2.6381708260043815 ], [ 3.24234191, 3.344684187596929, 2.627439428495618 ], [ 1.621170955, 1.5283718163684508, 1.2045978610912016 ], [ 4.863512865, 5.152538526331549, 4.061012393408799 ] ]
[ [ 6.48468382, 0, 3.970723642e-16 ], [ 0, 6.6809103427, -1.6055035255 ], [ 0, 0, 6.87111378 ] ]
8
[ 55, 55, 55, 55, 47, 47, 83, 83 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 4, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
Ag1 Au1 Dy2
4
94.34
-17.695
-0.595
0.013
0
ABC2_cF16_225_a_b_c:Ag-Au-Dy
-17.694845
0
0
-0.593686
-0.593686
0.015135
0.382948
ABC2_cF16_225_a_b_c:Ag-Au-Dy
false
Ag1 Au1 Dy2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.84196382, "alpha": 60, "b": 4.84196382, "beta": 60, "c": 4.84196382, "gamma": 60, "matrix": [ [ 4.1932636723, 0, 2.42098191 ], [ 1.3977545574, 3.953446904, 2.42098191 ], [ 0, 0, 4.84196382 ] ], "volume": 80.269327074 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Dy", "species": [ { "element": "Dy", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], "label": "Dy", "species": [ { "element": "Dy", "occu": 1 } ], "xyz": [ 2.7955202969, 1.9767194986, 4.84196382 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.3977545574, 0.988361726, 2.42098191 ] }, { "abc": [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ], "label": "Au", "species": [ { "element": "Au", "occu": 1 } ], "xyz": [ 4.1932524903, 2.9650891315, 7.26294573 ] } ] }
wbm-1-200
wbm-1-200
[ [ 0, 0, 0 ], [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], [ 0.25, 0.25, 0.25 ], [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ] ]
[ [ 0, 0, 0 ], [ 2.795520296886459, 1.976719498553096, 4.84196382 ], [ 1.3977545574249999, 0.988361726, 2.42098191 ], [ 4.19325249023854, 2.965089131446904, 7.26294573 ] ]
[ [ 0, 0, 0 ], [ 2.795520296886459, 1.976719498553096, 4.84196382 ], [ 1.3977545574249999, 0.988361726, 2.42098191 ], [ 4.19325249023854, 2.965089131446904, 7.26294573 ] ]
[ [ 4.1932636723, 0, 2.42098191 ], [ 1.3977545574, 3.953446904, 2.42098191 ], [ 0, 0, 4.84196382 ] ]
4
[ 66, 66, 47, 79 ]
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]