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Ag1 Dy2 Hg1
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AB2C_cF16_225_a_c_b:Ag-Dy-Hg
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AB2C_cF16_225_a_c_b:Ag-Dy-Hg
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Ag1 Dy2 Hg1
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wbm-1-201
wbm-1-201
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AB2_tI6_139_a_e:Ag-Dy
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Ag1 Dy2
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wbm-1-202
wbm-1-202
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3
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Ag1 Au2 Dy1
4
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AB2C_cF16_225_a_c_b:Ag-Au-Dy
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AB2C_cF16_225_a_c_b:Ag-Au-Dy
true
Ag1 Au2 Dy1
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wbm-1-203
wbm-1-203
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4
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Ag3 Dy3 Pb3
9
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ABC_hP9_189_f_g_bc:Ag-Dy-Pb
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Ag3 Dy3 Pb3
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wbm-1-204
wbm-1-204
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9
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Ag2 Dy2
4
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AB_tP4_129_c_c:Ag-Dy
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AB_tP4_129_c_c:Ag-Dy
true
Ag2 Dy2
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wbm-1-205
wbm-1-205
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4
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Ag1 Au1 Er2
4
92.01
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ABC2_cF16_225_a_b_c:Ag-Au-Er
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ABC2_cF16_225_a_b_c:Ag-Au-Er
false
Ag1 Au1 Er2
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wbm-1-206
wbm-1-206
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Ag1 Er2 Hg1
4
97.03
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AB2C_cF16_225_a_c_b:Ag-Er-Hg
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AB2C_cF16_225_a_c_b:Ag-Er-Hg
false
Ag1 Er2 Hg1
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wbm-1-207
wbm-1-207
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.249997, 0.250001, 0.250001 ], [ 0.75, 0.75, 0.75 ] ]
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4
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Ag1 Er2 Os1
4
83.46
-24.48
-0.325
-0.036
0
AB2C_cF16_225_a_c_b:Ag-Er-Os
-24.479956
0
0
-0.321139
-0.321139
0.014813
0.04222
AB2C_cF16_225_a_c_b:Ag-Er-Os
false
Ag1 Er2 Os1
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wbm-1-208
wbm-1-208
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.250003, 0.249999, 0.249999 ], [ 0.75, 0.75, 0.75 ] ]
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4
[ 68, 68, 47, 76 ]
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Ag1 Er2
3
78.6
-12.524
-0.187
0.042
0
AB2_tI6_139_a_e:Ag-Er
-12.523783
0
0
-0.185261
-0.185261
0.045656
0.739588
AB2_tI6_139_a_e:Ag-Er
true
Ag1 Er2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 3.21983056, "alpha": 104.47198744, "b": 3.21983056, "beta": 104.4719874, "c": 6.44206696, "gamma": 89.99999994, "matrix": [ [ 3.1176651382, 0, -0.8046570207 ], [ -0.20767878620000002, 3.1107403351, -0.8046570229000001 ], [ 0, 0, 6.44206696 ] ], "volume": 62.4767546157 }, "sites": [ { "abc": [ 0.334468, 0.334468, 0.668936 ], "label": "Er", "species": [ { "element": "Er", "occu": 1 } ], "xyz": [ 0.9732973152000001, 1.0404430984, 3.7710664544 ] }, { "abc": [ 0.665532, 0.665532, 0.33106399999999997 ], "label": "Er", "species": [ { "element": "Er", "occu": 1 } ], "xyz": [ 1.9366890368, 2.0702972367, 1.061686462 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-209
wbm-1-209
[ [ 0.334468, 0.334468, 0.668936 ], [ 0.665532, 0.665532, 0.33106399999999997 ], [ 0, 0, 0 ] ]
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[ [ 3.1176651382, 0, -0.8046570207 ], [ -0.20767878620000002, 3.1107403351, -0.8046570229000001 ], [ 0, 0, 6.44206696 ] ]
3
[ 68, 68, 47 ]
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Ag1 Au2 Er1
4
81.11
-16.385
-0.61
0.051
0
AB2C_cF16_225_a_c_b:Ag-Au-Er
-16.384812
0
0
-0.609178
-0.609178
0.051007
0.146675
AB2C_cF16_225_a_c_b:Ag-Au-Er
true
Ag1 Au2 Er1
{ "@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": "Er", "species": [ { "element": "Er", "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-1-210
wbm-1-210
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4
[ 68, 47, 79, 79 ]
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Ag2 Er2 Pb2
6
148.75
-24.465
-0.378
-0.043
0
ABC_hP6_186_b_a_b:Ag-Er-Pb
-24.464558
0
0
-0.373126
-0.373126
-0.019795
0.309097
ABC_hP6_186_b_a_b:Ag-Er-Pb
true
Ag2 Er2 Pb2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.95583145, "alpha": 90, "b": 4.95583145, "beta": 90, "c": 7.92033416, "gamma": 120.00000002, "matrix": [ [ 4.95583145, 0, 3.034571561e-16 ], [ -2.4779157265, 4.2918759317, 3.034571561e-16 ], [ 0, 0, 7.92033416 ] ], "volume": 168.4640321981 }, "sites": [ { "abc": [ 0, 0, 0.9879969999999999 ], "label": "Er", "species": [ { "element": "Er", "occu": 1 } ], "xyz": [ 0, 0, 7.8252663891 ] }, { "abc": [ 0, 0, 0.48799699999999996 ], "label": "Er", "species": [ { "element": "Er", "occu": 1 } ], "xyz": [ 0, 0, 3.8650993091 ] }, { "abc": [ 0.33333333330000003, 0.6666666667000001, 0.6841769999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ -1e-9, 2.8612506211, 5.4189104646 ] }, { "abc": [ 0.6666666667000001, 0.33333333330000003, 0.18417699999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.4779157245, 1.4306253106, 1.4587433846 ] }, { "abc": [ 0.6666666667000001, 0.33333333330000003, 0.770825 ], "label": "Pb", "species": [ { "element": "Pb", "occu": 1 } ], "xyz": [ 2.4779157245, 1.4306253106, 6.1051915789 ] }, { "abc": [ 0.33333333330000003, 0.6666666667000001, 0.270825 ], "label": "Pb", "species": [ { "element": "Pb", "occu": 1 } ], "xyz": [ -1e-9, 2.8612506211, 2.1450244989 ] } ] }
wbm-1-211
wbm-1-211
[ [ 0, 0, 0.9879969999999999 ], [ 0, 0, 0.48799699999999996 ], [ 0.33333333330000003, 0.6666666667000001, 0.6841769999999999 ], [ 0.6666666667000001, 0.33333333330000003, 0.18417699999999998 ], [ 0.6666666667000001, 0.33333333330000003, 0.770825 ], [ 0.33333333330000003, 0.6666666667000001, 0.270825 ] ]
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6
[ 68, 68, 47, 47, 82, 82 ]
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Ag2 Er2
4
95.51
-15.696
-0.226
0.026
0
AB_tP4_129_c_c:Ag-Er
-15.696356
0
0
-0.223939
-0.223939
0.122427
0.766345
AB_tP4_129_c_c:Ag-Er
true
Ag2 Er2
{ "@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": "Er", "species": [ { "element": "Er", "occu": 1 } ], "xyz": [ 2.58386634, 2.58386634, 5.7253227217 ] }, { "abc": [ 0.25, 0.25, 0.140034 ], "label": "Er", "species": [ { "element": "Er", "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-1-212
wbm-1-212
[ [ 0.75, 0.75, 0.859966 ], [ 0.25, 0.25, 0.140034 ], [ 0.75, 0.75, 0.382944 ], [ 0.25, 0.25, 0.6170559999999999 ] ]
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[ [ 2.5838663400000006, 2.58386634, 5.72532272168286 ], [ 0.8612887800000001, 0.86128878, 0.9322924883171401 ], [ 2.5838663400000006, 2.58386634, 2.5494937989782405 ], [ 0.8612887800000001, 0.86128878, 4.108121411021759 ] ]
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4
[ 68, 68, 47, 47 ]
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Ag1 Bi1 Eu2
4
121.52
-29.791
-0.621
0.036
0
ABC2_cF16_225_a_b_c:Ag-Bi-Eu
-29.790964
0
0
-0.650966
-0.650966
0.035639
0.044541
ABC2_cF16_225_a_b_c:Ag-Bi-Eu
false
Ag1 Bi1 Eu2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.4308233900000005, "alpha": 60, "b": 5.4308233900000005, "beta": 60, "c": 5.4308233900000005, "gamma": 60, "matrix": [ [ 4.7032310192, 0, 2.7154116950000002 ], [ 1.5677436731, 4.4342487296, 2.7154116950000002 ], [ 0, 0, 5.4308233900000005 ] ], "volume": 113.2614302548 }, "sites": [ { "abc": [ 0.5, 0.5, 0.5 ], "label": "Eu", "species": [ { "element": "Eu", "occu": 1 } ], "xyz": [ 3.1354873461, 2.2171243648, 5.4308233900000005 ] }, { "abc": [ 0, 0, 0 ], "label": "Eu", "species": [ { "element": "Eu", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.249997, 0.250001, 0.250001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5677311311, 1.1085666166, 2.7154116950000002 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Bi", "species": [ { "element": "Bi", "occu": 1 } ], "xyz": [ 4.7032310192, 3.3256865472, 8.146235085 ] } ] }
wbm-1-213
wbm-1-213
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.249997, 0.250001, 0.250001 ], [ 0.75, 0.75, 0.75 ] ]
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4
[ 63, 63, 47, 83 ]
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Ag1 Eu2 Hg1
4
114.75
-25.315
-0.41
0.016
0
AB2C_cF16_225_a_c_b:Ag-Eu-Hg
-25.353484
0
0
-0.425796
-0.425796
0.012302
0.331864
AB2C_cF16_225_a_c_b:Ag-Eu-Hg
false
Ag1 Eu2 Hg1
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wbm-1-214
wbm-1-214
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.249997, 0.250001, 0.250001 ], [ 0.75, 0.75, 0.75 ] ]
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4
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Ag1 Eu2 Ir1
4
95.21
-33.412
-0.291
0.067
0
AB2C_cF16_225_a_c_b:Ag-Eu-Ir
-33.436852
0
0
-0.312963
-0.312963
0.066988
0.164042
AB2C_cF16_225_a_c_b:Ag-Eu-Ir
true
Ag1 Eu2 Ir1
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wbm-1-215
wbm-1-215
[ [ 0, 0, 0 ], [ 0.49999699999999997, 0.500001, 0.500001 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ] ]
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4
[ 63, 63, 47, 77 ]
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Ag1 Eu2 Pb1
4
119.81
-28.888
-0.444
-0.027
0
AB2C_cF16_225_a_c_b:Ag-Eu-Pb
-28.887824
0
0
-0.457156
-0.457156
0.00598
0.051054
AB2C_cF16_225_a_c_b:Ag-Eu-Pb
false
Ag1 Eu2 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": "Eu", "species": [ { "element": "Eu", "occu": 1 } ], "xyz": [ 3.1222005419, 2.2077291754, 5.40780997 ] }, { "abc": [ 0, 0, 0 ], "label": "Eu", "species": [ { "element": "Eu", "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-1-216
wbm-1-216
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ] ]
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4
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Ag3 Eu3 Pb3
9
248.01
-53.6
-0.349
0.025
0
ABC_hP9_189_f_g_bc:Ag-Eu-Pb
-53.600295
0
0
-0.354855
-0.354855
0.008796
0.346139
ABC_hP9_189_f_g_bc:Ag-Eu-Pb
true
Ag3 Eu3 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": "Eu", "species": [ { "element": "Eu", "occu": 1 } ], "xyz": [ 2.280267875, 2.7963204792000003, 1.6144563811000001 ] }, { "abc": [ 0.5, 0.574121, 0 ], "label": "Eu", "species": [ { "element": "Eu", "occu": 1 } ], "xyz": [ 2.280267875, 3.769677091, -2.1764240841 ] }, { "abc": [ 0.5, 0, 0.574121 ], "label": "Eu", "species": [ { "element": "Eu", "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-1-217
wbm-1-217
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[ [ 4.56053575, 0, 2.792522754e-16 ], [ 0, 6.5659975701, -3.7908804661 ], [ 0, 0, 7.58176093 ] ]
9
[ 63, 63, 63, 47, 47, 47, 82, 82, 82 ]
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Ag1 Eu1
2
55.59
-13.711
-0.296
-0.017
0
AB_cP2_221_a_b:Ag-Eu
-13.710899
0
0
-0.310649
-0.310649
0.011449
0.164121
AB_cP2_221_a_b:Ag-Eu
true
Ag1 Eu1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 3.65352296, "alpha": 90, "b": 3.65352296, "beta": 90, "c": 3.65352296, "gamma": 90, "matrix": [ [ 3.65352296, 0, 2.237137599e-16 ], [ 5.875313023000001e-16, 3.65352296, 2.237137599e-16 ], [ 0, 0, 3.65352296 ] ], "volume": 48.7680648507 }, "sites": [ { "abc": [ 0.5, 0.5, 0.5 ], "label": "Eu", "species": [ { "element": "Eu", "occu": 1 } ], "xyz": [ 1.82676148, 1.82676148, 1.82676148 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-218
wbm-1-218
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
[ [ 1.8267614800000003, 1.82676148, 1.8267614800000003 ], [ 0, 0, 0 ] ]
[ [ 1.8267614800000003, 1.82676148, 1.8267614800000003 ], [ 0, 0, 0 ] ]
[ [ 3.65352296, 0, 2.237137599e-16 ], [ 5.875313023000001e-16, 3.65352296, 2.237137599e-16 ], [ 0, 0, 3.65352296 ] ]
2
[ 63, 47 ]
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Ag1 Gd2 Ir1
4
89.64
-42.05
-0.548
-0.029
0
AB2C_cF16_225_a_c_b:Ag-Gd-Ir
-42.049844
0
0
-0.556661
-0.556661
0.005557
0.042547
AB2C_cF16_225_a_c_b:Ag-Gd-Ir
false
Ag1 Gd2 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": "Gd", "species": [ { "element": "Gd", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.49999699999999997, 0.500001, 0.500001 ], "label": "Gd", "species": [ { "element": "Gd", "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-1-219
wbm-1-219
[ [ 0, 0, 0 ], [ 0.49999699999999997, 0.500001, 0.500001 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ] ]
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4
[ 64, 64, 47, 77 ]
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Ag2 Gd2 Pb2
6
153.67
-43.772
-0.43
-0.075
0
ABC_hP6_186_b_a_b:Ag-Gd-Pb
-43.808254
0
0
-0.427609
-0.427609
-0.091668
0.188679
ABC_hP6_186_b_a_b:Ag-Gd-Pb
true
Ag2 Gd2 Pb2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.95583145, "alpha": 90, "b": 4.95583145, "beta": 90, "c": 7.92033416, "gamma": 120.00000002, "matrix": [ [ 4.95583145, 0, 3.034571561e-16 ], [ -2.4779157265, 4.2918759317, 3.034571561e-16 ], [ 0, 0, 7.92033416 ] ], "volume": 168.4640321981 }, "sites": [ { "abc": [ 0, 0, 0.9879969999999999 ], "label": "Gd", "species": [ { "element": "Gd", "occu": 1 } ], "xyz": [ 0, 0, 7.8252663891 ] }, { "abc": [ 0, 0, 0.48799699999999996 ], "label": "Gd", "species": [ { "element": "Gd", "occu": 1 } ], "xyz": [ 0, 0, 3.8650993091 ] }, { "abc": [ 0.33333333330000003, 0.6666666667000001, 0.6841769999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ -1e-9, 2.8612506211, 5.4189104646 ] }, { "abc": [ 0.6666666667000001, 0.33333333330000003, 0.18417699999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.4779157245, 1.4306253106, 1.4587433846 ] }, { "abc": [ 0.6666666667000001, 0.33333333330000003, 0.770825 ], "label": "Pb", "species": [ { "element": "Pb", "occu": 1 } ], "xyz": [ 2.4779157245, 1.4306253106, 6.1051915789 ] }, { "abc": [ 0.33333333330000003, 0.6666666667000001, 0.270825 ], "label": "Pb", "species": [ { "element": "Pb", "occu": 1 } ], "xyz": [ -1e-9, 2.8612506211, 2.1450244989 ] } ] }
wbm-1-220
wbm-1-220
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6
[ 64, 64, 47, 47, 82, 82 ]
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Ag3 Gd3 Pb3
9
229.62
-65.521
-0.409
-0.053
0
ABC_hP9_189_f_g_bc:Ag-Gd-Pb
-65.521162
0
0
-0.406362
-0.406362
-0.070421
0.04373
ABC_hP9_189_f_g_bc:Ag-Gd-Pb
true
Ag3 Gd3 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": "Gd", "species": [ { "element": "Gd", "occu": 1 } ], "xyz": [ 2.280267875, 2.7963204792000003, 1.6144563811000001 ] }, { "abc": [ 0.5, 0.574121, 0 ], "label": "Gd", "species": [ { "element": "Gd", "occu": 1 } ], "xyz": [ 2.280267875, 3.769677091, -2.1764240841 ] }, { "abc": [ 0.5, 0, 0.574121 ], "label": "Gd", "species": [ { "element": "Gd", "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-1-221
wbm-1-221
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[ [ 4.56053575, 0, 2.792522754e-16 ], [ 0, 6.5659975701, -3.7908804661 ], [ 0, 0, 7.58176093 ] ]
9
[ 64, 64, 64, 47, 47, 47, 82, 82, 82 ]
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Ag1 Hf2 Hg1
4
82.13
-22.838
0.051
0.156
0
AB2C_cF16_225_a_c_b:Ag-Hf-Hg
-22.838241
0
0
0.053115
0.053115
0.155222
0.0572
AB2C_cF16_225_a_c_b:Ag-Hf-Hg
true
Ag1 Hf2 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": "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": [ 2.8460325924000003, 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-1-222
wbm-1-222
[ [ 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 ] ]
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4
[ 72, 72, 47, 80 ]
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Ag1 Hf2 Ir1
4
74.27
-33.37
-0.442
0.122
0
AB2C_cF16_225_a_c_b:Ag-Hf-Ir
-33.370206
0
0
-0.446202
-0.446202
0.122374
0.061198
AB2C_cF16_225_a_c_b:Ag-Hf-Ir
true
Ag1 Hf2 Ir1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.69932519, "alpha": 120.00003709, "b": 4.69934066, "beta": 89.99999311, "c": 4.69932705, "gamma": 119.9998563, "matrix": [ [ 4.69932519, 0, 5.651e-7 ], [ -2.3496598404, 3.3229412022, -2.3496729645 ], [ 0, 0, 4.69932705 ] ], "volume": 73.3827235872 }, "sites": [ { "abc": [ 0.5, 0.000001, 0.5 ], "label": "Hf", "species": [ { "element": "Hf", "occu": 1 } ], "xyz": [ 2.3496602453, 0.0000033229, 2.3496614579 ] }, { "abc": [ 0, 0.000001, 0.000001 ], "label": "Hf", "species": [ { "element": "Hf", "occu": 1 } ], "xyz": [ -0.0000023497, 0.0000033229, 0.0000023497 ] }, { "abc": [ 0.75, 0.5, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.3496639723, 1.6614706011, -0.0000042959 ] }, { "abc": [ 0.249999, 0.500002, 0.7500009999999999 ], "label": "Ir", "species": [ { "element": "Ir", "occu": 1 } ], "xyz": [ -0.0000080213, 1.661477247, 2.3496589465 ] } ] }
wbm-1-223
wbm-1-223
[ [ 0.5, 0.000001, 0.5 ], [ 0, 0.000001, 0.000001 ], [ 0.75, 0.5, 0.25 ], [ 0.249999, 0.500002, 0.7500009999999999 ] ]
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[ [ 4.69932519, 0, 5.651e-7 ], [ -2.3496598404, 3.3229412022, -2.3496729645 ], [ 0, 0, 4.69932705 ] ]
4
[ 72, 72, 47, 77 ]
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Ag1 Hf2 Os1
4
73.4
-35.199
-0.311
0.106
0
AB2C_cF16_225_a_c_b:Ag-Hf-Os
-35.198747
0
0
-0.306087
-0.306087
0.105852
0.000013
AB2C_cF16_225_a_c_b:Ag-Hf-Os
true
Ag1 Hf2 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": "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": [ 2.7032194030000003, 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-1-224
wbm-1-224
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.250003, 0.249999, 0.249999 ], [ 0.75, 0.75, 0.75 ] ]
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[ [ 4.0548291045, 0, 2.341056675 ], [ 1.3516097015000001, 3.8229295417999998, 2.341056675 ], [ 0, 0, 4.68211335 ] ]
4
[ 72, 72, 47, 76 ]
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Ag1 Hf2 Tl1
4
84.18
-24.615
0.122
0.214
0
AB2C_cF16_225_a_c_b:Ag-Hf-Tl
-24.615386
0
0
0.123553
0.123553
0.212817
0.0749
AB2C_cF16_225_a_c_b:Ag-Hf-Tl
true
Ag1 Hf2 Tl1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.98595521, "alpha": 60.00002955, "b": 4.9859155600000005, "beta": 60.00035978, "c": 4.9859355999999995, "gamma": 60.0002543, "matrix": [ [ 4.3179795282, 0, 2.492950491 ], [ 1.4392994379, 4.0709880508, 2.492955553 ], [ 0, 0, 4.9859355999999995 ] ], "volume": 87.6449850602 }, "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": [ 2.878639483, 2.0354940254, 4.985920822 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Tl", "species": [ { "element": "Tl", "occu": 1 } ], "xyz": [ 4.3179592245, 3.0532410381, 7.478881233 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.4393197415, 1.0177470127, 2.492960411 ] } ] }
wbm-1-225
wbm-1-225
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
[ [ 0, 0, 0 ], [ 2.87863948305, 2.0354940254, 4.985920822 ], [ 4.3179592245750005, 3.0532410380999995, 7.478881232999999 ], [ 1.439319741525, 1.0177470127, 2.492960411 ] ]
[ [ 0, 0, 0 ], [ 2.87863948305, 2.0354940254, 4.985920822 ], [ 4.3179592245750005, 3.0532410380999995, 7.478881232999999 ], [ 1.439319741525, 1.0177470127, 2.492960411 ] ]
[ [ 4.3179795282, 0, 2.492950491 ], [ 1.4392994379, 4.0709880508, 2.492955553 ], [ 0, 0, 4.9859355999999995 ] ]
4
[ 72, 72, 81, 47 ]
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Ag1 Hf1
2
39.86
-12.601
0.091
0.183
0
AB_cP2_221_a_b:Ag-Hf
-12.600623
0
0
0.094589
0.094589
0.209674
0.00551
AB_cP2_221_a_b:Ag-Hf
true
Ag1 Hf1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 3.44468896, "alpha": 90, "b": 3.44468896, "beta": 90, "c": 3.44468896, "gamma": 90, "matrix": [ [ 3.44468896, 0, 2.1092636539999998e-16 ], [ 5.539482338e-16, 3.44468896, 2.1092636539999998e-16 ], [ 0, 0, 3.44468896 ] ], "volume": 40.8742728334 }, "sites": [ { "abc": [ 0.5, 0.5, 0.5 ], "label": "Hf", "species": [ { "element": "Hf", "occu": 1 } ], "xyz": [ 1.72234448, 1.72234448, 1.72234448 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-226
wbm-1-226
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
[ [ 1.7223444800000003, 1.72234448, 1.7223444800000003 ], [ 0, 0, 0 ] ]
[ [ 1.7223444800000003, 1.72234448, 1.7223444800000003 ], [ 0, 0, 0 ] ]
[ [ 3.44468896, 0, 2.1092636539999998e-16 ], [ 5.539482338e-16, 3.44468896, 2.1092636539999998e-16 ], [ 0, 0, 3.44468896 ] ]
2
[ 72, 47 ]
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Ag1 Bi1 Hg2
4
102.16
-6.695
0.16
0.16
0
ABC2_cF16_225_a_b_c:Ag-Bi-Hg
-6.695229
0
0
0.146318
0.146318
0.146294
3.01208
ABC2_hR12_166_a_b_c:Ag-Bi-Hg
true
Ag1 Bi1 Hg2
{ "@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": [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.6259510394, 3.2710544336, 8.0124036 ] }, { "abc": [ 0, 0, 0 ], "label": "Hg", "species": [ { "element": "Hg", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Hg", "species": [ { "element": "Hg", "occu": 1 } ], "xyz": [ 3.0839755835, 2.1807000481, 5.3416024 ] }, { "abc": [ 0.249997, 0.250001, 0.250001 ], "label": "Bi", "species": [ { "element": "Bi", "occu": 1 } ], "xyz": [ 1.5419754559, 1.0903543855, 2.6708012 ] } ] }
wbm-1-227
wbm-1-227
[ [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.249997, 0.250001, 0.250001 ] ]
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[ [ 4.6259633753, 0, 2.6708012 ], [ 1.5419877918, 4.3614000963, 2.6708012 ], [ 0, 0, 5.3416024 ] ]
4
[ 47, 80, 80, 83 ]
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Ag1 Hg2 Np1
4
90.79
-14.399
0.495
0.495
0
AB2C_cF16_225_a_c_b:Ag-Hg-Np
-14.398752
0
0
0.497262
0.497262
0.497236
0.022674
AB2C_cF16_225_a_c_b:Ag-Hg-Np
true
Ag1 Hg2 Np1
{ "@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": "Np", "species": [ { "element": "Np", "occu": 1 } ], "xyz": [ 1.5419754559, 1.0903543855, 2.6708012 ] }, { "abc": [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.6259510394, 3.2710544336, 8.0124036 ] }, { "abc": [ 0, 0, 0 ], "label": "Hg", "species": [ { "element": "Hg", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.5, 0.5, 0.5 ], "label": "Hg", "species": [ { "element": "Hg", "occu": 1 } ], "xyz": [ 3.0839755835, 2.1807000481, 5.3416024 ] } ] }
wbm-1-228
wbm-1-228
[ [ 0.249997, 0.250001, 0.250001 ], [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ] ]
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[ [ 1.5419754558726657, 1.090354385475096, 2.6708011999999997 ], [ 4.625951039422665, 3.2710544336250957, 8.012403599999999 ], [ 0, 0, 0 ], [ 3.08397558355, 2.18070004815, 5.3416024 ] ]
[ [ 4.6259633753, 0, 2.6708012 ], [ 1.5419877918, 4.3614000963, 2.6708012 ], [ 0, 0, 5.3416024 ] ]
4
[ 93, 47, 80, 80 ]
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Ag1 Hg2 Th1
4
96.24
-11.664
-0.204
0.015
0
AB2C_cF16_225_a_c_b:Ag-Hg-Th
-11.663626
0
0
-0.202432
-0.202432
0.009889
0.000089
AB2C_cF16_225_a_c_b:Ag-Hg-Th
false
Ag1 Hg2 Th1
{ "@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": "Th", "species": [ { "element": "Th", "occu": 1 } ], "xyz": [ 4.5120898791, 3.1905156727, 7.8151293076 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5040314637, 1.0635052242, 2.6050422342 ] }, { "abc": [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], "label": "Hg", "species": [ { "element": "Hg", "occu": 1 } ], "xyz": [ 3.0080749597, 2.1270061945, 5.2100844684 ] }, { "abc": [ 0, 0, 0 ], "label": "Hg", "species": [ { "element": "Hg", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-229
wbm-1-229
[ [ 0.749999, 0.75, 0.7500009999999999 ], [ 0.25, 0.25, 0.25 ], [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], [ 0, 0, 0 ] ]
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[ [ 4.5120898791575375, 3.190515672675, 7.815129307546684 ], [ 1.50403146375, 1.063505224225, 2.6050422341750004 ], [ 3.0080749597439973, 2.127006194429103, 5.210084468398765 ], [ 0, 0, 0 ] ]
[ [ 4.5120924631, 0, 2.6050544255 ], [ 1.5040333919000002, 4.2540208969, 2.6050384012 ], [ 0, 0, 5.21007611 ] ]
4
[ 90, 47, 80, 80 ]
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Ag1 Hg2 U1
4
92.62
-13.854
0.219
0.219
0
AB2C_cF16_225_a_c_b:Ag-Hg-U
-13.854048
0
0
0.219338
0.219338
0.21932
0.37748
AB2C_cF16_225_a_c_b:Ag-Hg-U
true
Ag1 Hg2 U1
{ "@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": "U", "species": [ { "element": "U", "occu": 1 } ], "xyz": [ 4.5120898791, 3.1905156727, 7.8151293076 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5040314637, 1.0635052242, 2.6050422342 ] }, { "abc": [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], "label": "Hg", "species": [ { "element": "Hg", "occu": 1 } ], "xyz": [ 3.0080749597, 2.1270061945, 5.2100844684 ] }, { "abc": [ 0, 0, 0 ], "label": "Hg", "species": [ { "element": "Hg", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-230
wbm-1-230
[ [ 0.749999, 0.75, 0.7500009999999999 ], [ 0.25, 0.25, 0.25 ], [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], [ 0, 0, 0 ] ]
[ [ 4.5120898791575375, 3.190515672675, 7.815129307546684 ], [ 1.50403146375, 1.063505224225, 2.6050422341750004 ], [ 3.0080749597439973, 2.127006194429103, 5.210084468398765 ], [ 0, 0, 0 ] ]
[ [ 4.5120898791575375, 3.190515672675, 7.815129307546684 ], [ 1.50403146375, 1.063505224225, 2.6050422341750004 ], [ 3.0080749597439973, 2.127006194429103, 5.210084468398765 ], [ 0, 0, 0 ] ]
[ [ 4.5120924631, 0, 2.6050544255 ], [ 1.5040333919000002, 4.2540208969, 2.6050384012 ], [ 0, 0, 5.21007611 ] ]
4
[ 92, 47, 80, 80 ]
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Ag1 Hg1 Pu2
4
103.11
-31.675
0.03
0.1
0
ABC2_cF16_225_a_b_c:Ag-Hg-Pu
-31.674753
0
0
-0.000713
-0.000713
0.040132
0.326659
ABC2_cF16_225_a_b_c:Ag-Hg-Pu
true
Ag1 Hg1 Pu2
{ "@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": "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": [ 2.8460325924000003, 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-1-231
wbm-1-231
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.249997, 0.250001, 0.250001 ], [ 0.75, 0.75, 0.75 ] ]
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[ [ 4.2690488886, 0, 2.464736525 ], [ 1.4230162962000001, 4.0248978911, 2.464736525 ], [ 0, 0, 4.92947305 ] ]
4
[ 94, 94, 47, 80 ]
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Ag1 Hg1 Th2
4
108.8
-18.407
-0.114
0.077
0
ABC2_cF16_225_a_b_c:Ag-Hg-Th
-18.407013
0
0
-0.110728
-0.110728
0.05576
0.343343
ABC2_cF16_225_a_b_c:Ag-Hg-Th
true
Ag1 Hg1 Th2
{ "@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": "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": [ 2.8460325924000003, 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-1-232
wbm-1-232
[ [ 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 ] ]
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[ [ 4.2690488886, 0, 2.464736525 ], [ 1.4230162962000001, 4.0248978911, 2.464736525 ], [ 0, 0, 4.92947305 ] ]
4
[ 90, 90, 47, 80 ]
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Ag1 Hg1 U2
4
99
-23.427
0.573
0.573
0
ABC2_cF16_225_a_b_c:Ag-Hg-U
-23.426777
0
0
0.573081
0.573081
0.57307
0.303792
ABC2_cF16_225_a_b_c:Ag-Hg-U
true
Ag1 Hg1 U2
{ "@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": "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": [ 2.8460325924000003, 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-1-233
wbm-1-233
[ [ 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 ] ]
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4
[ 92, 92, 47, 80 ]
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Ag1 Au1 Ho2
4
93.15
-17.681
-0.606
0.011
0
ABC2_cF16_225_a_b_c:Ag-Au-Ho
-17.68139
0
0
-0.602523
-0.602523
0.01371
0.360337
ABC2_cF16_225_a_b_c:Ag-Au-Ho
false
Ag1 Au1 Ho2
{ "@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": "Ho", "species": [ { "element": "Ho", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], "label": "Ho", "species": [ { "element": "Ho", "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-1-234
wbm-1-234
[ [ 0, 0, 0 ], [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], [ 0.25, 0.25, 0.25 ], [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ] ]
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[ [ 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
[ 67, 67, 47, 79 ]
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Ag1 Hg1 Ho2
4
98.22
-13.934
-0.412
-0.002
0
ABC2_cF16_225_a_b_c:Ag-Hg-Ho
-13.934495
0
0
-0.408349
-0.408349
0.004925
0.273386
ABC2_cF16_225_a_b_c:Ag-Hg-Ho
false
Ag1 Hg1 Ho2
{ "@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": "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": [ 2.8460325924000003, 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-1-235
wbm-1-235
[ [ 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
[ 67, 67, 47, 80 ]
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Ag1 Ho2 Os1
4
84.54
-24.43
-0.307
0.023
0
AB2C_cF16_225_a_c_b:Ag-Ho-Os
-24.430316
0
0
-0.301379
-0.301379
0.022351
0.058393
AB2C_cF16_225_a_c_b:Ag-Ho-Os
false
Ag1 Ho2 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": "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": [ 2.7032194030000003, 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-1-236
wbm-1-236
[ [ 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
[ 67, 67, 47, 76 ]
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Ag1 Ho2
3
79.67
-12.543
-0.186
0.04
0
AB2_tI6_139_a_e:Ag-Ho
-12.543412
0
0
-0.182004
-0.182004
0.045013
0.745653
AB2_tI6_139_a_e:Ag-Ho
true
Ag1 Ho2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 3.21983056, "alpha": 104.47198744, "b": 3.21983056, "beta": 104.4719874, "c": 6.44206696, "gamma": 89.99999994, "matrix": [ [ 3.1176651382, 0, -0.8046570207 ], [ -0.20767878620000002, 3.1107403351, -0.8046570229000001 ], [ 0, 0, 6.44206696 ] ], "volume": 62.4767546157 }, "sites": [ { "abc": [ 0.334468, 0.334468, 0.668936 ], "label": "Ho", "species": [ { "element": "Ho", "occu": 1 } ], "xyz": [ 0.9732973152000001, 1.0404430984, 3.7710664544 ] }, { "abc": [ 0.665532, 0.665532, 0.33106399999999997 ], "label": "Ho", "species": [ { "element": "Ho", "occu": 1 } ], "xyz": [ 1.9366890368, 2.0702972367, 1.061686462 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-237
wbm-1-237
[ [ 0.334468, 0.334468, 0.668936 ], [ 0.665532, 0.665532, 0.33106399999999997 ], [ 0, 0, 0 ] ]
[ [ 0.9732973151807359, 1.0404430984002269, 3.7710664544197554 ], [ 1.936689036819264, 2.070297236699773, 1.0616864619802442 ], [ 0, 0, 0 ] ]
[ [ 0.9732973151807359, 1.0404430984002269, 3.7710664544197554 ], [ 1.936689036819264, 2.070297236699773, 1.0616864619802442 ], [ 0, 0, 0 ] ]
[ [ 3.1176651382, 0, -0.8046570207 ], [ -0.20767878620000002, 3.1107403351, -0.8046570229000001 ], [ 0, 0, 6.44206696 ] ]
3
[ 67, 67, 47 ]
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Ag1 Au2 Ho1
4
81.75
-16.393
-0.61
0.047
0
AB2C_cF16_225_a_c_b:Ag-Au-Ho
-16.393262
0
0
-0.607616
-0.607616
0.048995
0.137539
AB2C_cF16_225_a_c_b:Ag-Au-Ho
true
Ag1 Au2 Ho1
{ "@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": "Ho", "species": [ { "element": "Ho", "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-1-238
wbm-1-238
[ [ 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
[ 67, 47, 79, 79 ]
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Ag3 Ho3 Pb3
9
222.76
-36.696
-0.375
-0.031
0
ABC_hP9_189_f_g_bc:Ag-Ho-Pb
-36.695907
0
0
-0.368123
-0.368123
0.020632
0.059716
ABC_hP9_189_f_g_bc:Ag-Ho-Pb
true
Ag3 Ho3 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": "Ho", "species": [ { "element": "Ho", "occu": 1 } ], "xyz": [ 2.280267875, 2.7963204792000003, 1.6144563811000001 ] }, { "abc": [ 0.5, 0.574121, 0 ], "label": "Ho", "species": [ { "element": "Ho", "occu": 1 } ], "xyz": [ 2.280267875, 3.769677091, -2.1764240841 ] }, { "abc": [ 0.5, 0, 0.574121 ], "label": "Ho", "species": [ { "element": "Ho", "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-1-239
wbm-1-239
[ [ 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 ] ]
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[ [ 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
[ 67, 67, 67, 47, 47, 47, 82, 82, 82 ]
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Ag2 Ho2
4
96.72
-15.709
-0.224
0.025
0
AB_tP4_129_c_c:Ag-Ho
-15.708815
0
0
-0.219704
-0.219704
0.120817
0.786304
AB_tP4_129_c_c:Ag-Ho
true
Ag2 Ho2
{ "@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": "Ho", "species": [ { "element": "Ho", "occu": 1 } ], "xyz": [ 2.58386634, 2.58386634, 5.7253227217 ] }, { "abc": [ 0.25, 0.25, 0.140034 ], "label": "Ho", "species": [ { "element": "Ho", "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-1-240
wbm-1-240
[ [ 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
[ 67, 67, 47, 47 ]
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Ag2 Cs2 I4
8
356.54
-20.739
-0.902
0.025
1.43
ABC2_tP8_129_c_c_ac:Ag-Cs-I
-20.739153
-0.1895
0
-0.923694
-1.113194
0.024863
0.142508
ABC2_tP8_129_c_c_ac:Ag-Cs-I
true
Ag2 Cs2 I4
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wbm-1-241
wbm-1-241
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Ag2 Cs2 I4
8
336.42
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0.034
2.55
ABC2_tI16_140_b_a_h:Ag-Cs-I
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ABC2_tI16_140_b_a_h:Ag-Cs-I
true
Ag2 Cs2 I4
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wbm-1-242
wbm-1-242
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Ag2 Cs2 I4
8
342.45
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0.027
2.14
ABC2_oC16_63_c_c_2c:Ag-Cs-I
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ABC2_oC16_63_c_c_2c:Ag-Cs-I
true
Ag2 Cs2 I4
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wbm-1-243
wbm-1-243
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Ag2 I4 Pb2
8
275.26
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0.317
0
AB2C_tI16_140_b_h_a:Ag-I-Pb
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AB2C_tI16_140_b_h_a:Ag-I-Pb
true
Ag2 I4 Pb2
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wbm-1-244
wbm-1-244
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Ag2 Cs2 I6
10
430.57
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0.039
0.14
ABC3_tI20_139_ab_d_eh:Ag-Cs-I
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ABC3_tI20_139_ab_d_eh:Ag-Cs-I
true
Ag2 Cs2 I6
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wbm-1-245
wbm-1-245
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10
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Ag1 Cs1 I3
5
203.19
-11.833
-0.71
0.051
0
ABC3_mP5_6_a_b_2ab:Ag-Cs-I
-11.832768
-0.2274
0
-0.736914
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0.051924
0.120529
ABC3_cP5_221_b_a_c:Ag-Cs-I
true
Ag1 Cs1 I3
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wbm-1-246
wbm-1-246
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5
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Ag2 I6 Tl2
10
381.34
-22.68
-0.317
0.07
0
AB3C_hR30_161_a_b_a:Ag-I-Tl
-22.680021
-0.2274
0
-0.344922
-0.572322
0.071139
0.679297
AB3C_hR30_161_a_b_a:Ag-I-Tl
true
Ag2 I6 Tl2
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wbm-1-247
wbm-1-247
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10
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Ag1 I3 Tl1
5
197.06
-11.283
-0.306
0.081
0
AB3C_mC10_8_a_ab_a:Ag-I-Tl
-11.283118
-0.2274
0
-0.333544
-0.560944
0.082518
1.392861
AB3C_mC10_8_a_ab_a:Ag-I-Tl
true
Ag1 I3 Tl1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.40652567, "alpha": 89.9034603, "b": 5.4076385, "beta": 89.84020864, "c": 5.40948838, "gamma": 89.93057935, "matrix": [ [ 5.4065046444, 0, 0.0150781607 ], [ 0.0065266099, 5.4076268853, 0.009111518400000001 ], [ 0, 0, 5.40948838 ] ], "volume": 158.1537489911 }, "sites": [ { "abc": [ 0.001433, 0.9976569999999999, 0.9966459999999999 ], "label": "Tl", "species": [ { "element": "Tl", "occu": 1 } ], "xyz": [ 0.0142588392, 5.3949568155, 5.4004567331 ] }, { "abc": [ 0.485095, 0.49963399999999997, 0.49648899999999996 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.6259292867, 2.7018342512, 2.6976182411 ] }, { "abc": [ 0.482186, 0.9998859999999999, 0.493537 ], "label": "I", "species": [ { "element": "I", "occu": 1 } ], "xyz": [ 2.6134667143, 5.4070104158, 2.6861636242999998 ] }, { "abc": [ 0.984957, 0.505088, 0.5064649999999999 ], "label": "I", "species": [ { "element": "I", "occu": 1 } ], "xyz": [ 5.3284711073, 2.7313274482, 2.7591699909000003 ] }, { "abc": [ 0.48632699999999995, 0.497733, 0.9968629999999999 ], "label": "I", "species": [ { "element": "I", "occu": 1 } ], "xyz": [ 2.6325776933, 2.6915543525, 5.404386835 ] } ] }
wbm-1-248
wbm-1-248
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5
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Ag1 Au1 In2
4
85.52
-11.735
-0.032
0.137
0
ABC2_cF16_225_a_b_c:Ag-Au-In
-11.735371
0
0
-0.031368
-0.031368
0.140141
0.240523
ABC2_cF16_225_a_b_c:Ag-Au-In
true
Ag1 Au1 In2
{ "@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": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], "label": "In", "species": [ { "element": "In", "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-1-249
wbm-1-249
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4
[ 49, 49, 47, 79 ]
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Ag1 Hg1 In2
4
95.21
-8.375
0.065
0.08
0
ABC2_cF16_225_a_b_c:Ag-Hg-In
-8.375489
0
0
0.066053
0.066053
0.078042
0.389843
ABC2_cF16_225_a_b_c:Ag-Hg-In
true
Ag1 Hg1 In2
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wbm-1-250
wbm-1-250
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4
[ 49, 49, 47, 80 ]
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Ag1 In2 Ir1
4
74.13
-17.104
0.023
0.137
0
AB2C_cF16_225_a_c_b:Ag-In-Ir
-17.103969
0
0
0.017608
0.017608
0.138953
0.134175
AB2C_cF16_225_a_c_b:Ag-In-Ir
true
Ag1 In2 Ir1
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wbm-1-251
wbm-1-251
[ [ 0.5, 0.000001, 0.5 ], [ 0, 0.000001, 0.000001 ], [ 0.75, 0.5, 0.25 ], [ 0.249999, 0.500002, 0.7500009999999999 ] ]
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4
[ 49, 49, 47, 77 ]
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Ag1 In2 Os1
4
73.71
-18.078
0.368
0.383
0
AB2C_cF16_225_a_c_b:Ag-In-Os
-18.077911
0
0
0.371372
0.371372
0.383358
0.000011
AB2C_cF16_225_a_c_b:Ag-In-Os
true
Ag1 In2 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": "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": [ 2.7032194030000003, 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-1-252
wbm-1-252
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.250003, 0.249999, 0.249999 ], [ 0.75, 0.75, 0.75 ] ]
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4
[ 49, 49, 47, 76 ]
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Ag1 In2 Te4
7
244.13
-22.391
-0.213
0.064
0
AB2C4_tI14_82_a_bc_g:Ag-In-Te
-22.391486
-0.241143
0
-0.211755
-0.452898
0.062971
0.192905
AB2C4_tI14_82_a_bc_g:Ag-In-Te
true
Ag1 In2 Te4
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wbm-1-253
wbm-1-253
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7
[ 49, 49, 47, 52, 52, 52, 52 ]
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Ag1 In2 Tl1
4
103.51
-10.222
0.119
0.135
0
AB2C_cF16_225_a_c_b:Ag-In-Tl
-10.221532
0
0
0.119267
0.119267
0.131272
0.908807
AB2C_oI8_71_a_f_b:Ag-In-Tl
true
Ag1 In2 Tl1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.98595521, "alpha": 60.00002955, "b": 4.9859155600000005, "beta": 60.00035978, "c": 4.9859355999999995, "gamma": 60.0002543, "matrix": [ [ 4.3179795282, 0, 2.492950491 ], [ 1.4392994379, 4.0709880508, 2.492955553 ], [ 0, 0, 4.9859355999999995 ] ], "volume": 87.6449850602 }, "sites": [ { "abc": [ 0.75, 0.75, 0.75 ], "label": "Tl", "species": [ { "element": "Tl", "occu": 1 } ], "xyz": [ 4.3179592245, 3.0532410381, 7.478881233 ] }, { "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": [ 2.878639483, 2.0354940254, 4.985920822 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.4393197415, 1.0177470127, 2.492960411 ] } ] }
wbm-1-254
wbm-1-254
[ [ 0.75, 0.75, 0.75 ], [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.25, 0.25, 0.25 ] ]
[ [ 4.3179592245750005, 3.0532410380999995, 7.478881232999999 ], [ 0, 0, 0 ], [ 2.87863948305, 2.0354940254, 4.985920822 ], [ 1.439319741525, 1.0177470127, 2.492960411 ] ]
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[ [ 4.3179795282, 0, 2.492950491 ], [ 1.4392994379, 4.0709880508, 2.492955553 ], [ 0, 0, 4.9859355999999995 ] ]
4
[ 81, 49, 49, 47 ]
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Ag1 In2
3
75.78
-8.381
-0.016
0.004
0
AB2_cF12_225_a_c:Ag-In
-8.381374
0
0
-0.015125
-0.015125
0.000867
0.00289
AB2_cF12_225_a_c:Ag-In
true
Ag1 In2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.73270941, "alpha": 60.0000001, "b": 4.73270941, "beta": 60.00000011, "c": 4.73270941, "gamma": 60.00000012, "matrix": [ [ 4.0986465823, 0, 2.3663546971000002 ], [ 1.3662155232, 3.8642410571, 2.3663546978 ], [ 0, 0, 4.73270941 ] ], "volume": 74.957401307 }, "sites": [ { "abc": [ 0.75, 0.75, 0.75 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 4.0986465791, 2.8981807929, 7.0990641037 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 1.3662155264, 0.9660602643, 2.3663547012 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-255
wbm-1-255
[ [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ], [ 0, 0, 0 ] ]
[ [ 4.098646579125, 2.8981807928250003, 7.0990641036749995 ], [ 1.366215526375, 0.966060264275, 2.366354701225 ], [ 0, 0, 0 ] ]
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3
[ 49, 49, 47 ]
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Ag2 In6
8
196.56
-21.614
0.069
0.084
0
AB3_hP8_194_c_h:Ag-In
-21.614421
0
0
0.070122
0.070122
0.082112
0.326845
AB3_hP8_194_c_h:Ag-In
false
Ag2 In6
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.5641905099999995, "alpha": 60.00001322, "b": 6.90566445, "beta": 90, "c": 6.90566389, "gamma": 90, "matrix": [ [ 5.5641905099999995, 0, 3.4070840489999996e-16 ], [ -3.661988849e-16, 5.9804816404, 3.4528308451 ], [ 0, 0, 6.90566389 ] ], "volume": 229.7965950596 }, "sites": [ { "abc": [ 0.75, 0.657774, 0.171113 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 4.1731428825, 3.9338053305000003, 3.4528312215 ] }, { "abc": [ 0.75, 0.171113, 0.171115 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 4.1731428825, 1.0233381549, 1.7724869209 ] }, { "abc": [ 0.75, 0.171113, 0.657772 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 4.1731428825, 1.0233381549, 5.1331765927 ] }, { "abc": [ 0.249999, 0.342225, 0.828888 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 1.3910420633, 2.0466703294, 6.9056669664 ] }, { "abc": [ 0.249999, 0.828886, 0.828886 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 1.3910420633, 4.957137505, 8.586011267 ] }, { "abc": [ 0.249999, 0.828886, 0.342226 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 1.3910420633, 4.957137505, 5.2253008783 ] }, { "abc": [ 0.249999, 0.33333333330000003, 0.33333333330000003 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.3910420633, 1.9934938801, 3.4528315784 ] }, { "abc": [ 0.75, 0.6666666667000001, 0.6666666667000001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1731428825, 3.9869877603, 6.9056631567 ] } ] }
wbm-1-256
wbm-1-256
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8
[ 49, 49, 49, 49, 49, 49, 47, 47 ]
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Ag1 In3
4
98.82
-10.703
0.095
0.111
0
AB3_cF16_225_a_bc:Ag-In
-10.702933
0
0
0.096192
0.096192
0.108182
0.635608
AB3_cF16_225_a_bc:Ag-In
true
Ag1 In3
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wbm-1-257
wbm-1-257
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4
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Ag1 Ce2 In1
4
110.06
-18.114
-0.166
0.084
0
AB2C_cF16_225_a_c_b:Ag-Ce-In
-18.114206
0
0
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-0.165926
0.073396
0.39422
AB2C_cF16_225_a_c_b:Ag-Ce-In
true
Ag1 Ce2 In1
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wbm-1-258
wbm-1-258
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4
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Ag1 Dy2 In1
4
102.41
-16.386
-0.399
-0.005
0
AB2C_cF16_225_a_c_b:Ag-Dy-In
-16.385998
0
0
-0.397024
-0.397024
0.000582
0.303587
AB2C_cF16_225_a_c_b:Ag-Dy-In
false
Ag1 Dy2 In1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.9680664100000005, "alpha": 60, "b": 4.9680664100000005, "beta": 60, "c": 4.9680664100000005, "gamma": 60, "matrix": [ [ 4.3024717187, 0, 2.4840332050000002 ], [ 1.4341572396, 4.0564092376, 2.4840332050000002 ], [ 0, 0, 4.9680664100000005 ] ], "volume": 86.7056063954 }, "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": [ 2.8683144792, 2.0282046188, 4.9680664100000005 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 4.3024717187, 3.0423069282, 7.452099615 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.4341572396, 1.0141023094, 2.4840332050000002 ] } ] }
wbm-1-259
wbm-1-259
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4
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Ag1 Eu2 In1
4
117.36
-27.513
-0.347
0.041
0
AB2C_cF16_225_a_c_b:Ag-Eu-In
-27.550798
0
0
-0.363125
-0.363125
0.004855
0.436936
AB2C_cF16_225_a_c_b:Ag-Eu-In
true
Ag1 Eu2 In1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.9680664100000005, "alpha": 60, "b": 4.9680664100000005, "beta": 60, "c": 4.9680664100000005, "gamma": 60, "matrix": [ [ 4.3024717187, 0, 2.4840332050000002 ], [ 1.4341572396, 4.0564092376, 2.4840332050000002 ], [ 0, 0, 4.9680664100000005 ] ], "volume": 86.7056063954 }, "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": [ 2.8683144792, 2.0282046188, 4.9680664100000005 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 4.3024717187, 3.0423069282, 7.452099615 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.4341572396, 1.0141023094, 2.4840332050000002 ] } ] }
wbm-1-260
wbm-1-260
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4
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Ag1 Gd2 In1
4
104.51
-35.351
-0.41
-0.013
0
AB2C_cF16_225_a_c_b:Ag-Gd-In
-35.386252
0
0
-0.412438
-0.412438
-0.004717
0.339209
AB2C_cF16_225_a_c_b:Ag-Gd-In
true
Ag1 Gd2 In1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.9680664100000005, "alpha": 60, "b": 4.9680664100000005, "beta": 60, "c": 4.9680664100000005, "gamma": 60, "matrix": [ [ 4.3024717187, 0, 2.4840332050000002 ], [ 1.4341572396, 4.0564092376, 2.4840332050000002 ], [ 0, 0, 4.9680664100000005 ] ], "volume": 86.7056063954 }, "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": [ 2.8683144792, 2.0282046188, 4.9680664100000005 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 4.3024717187, 3.0423069282, 7.452099615 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.4341572396, 1.0141023094, 2.4840332050000002 ] } ] }
wbm-1-261
wbm-1-261
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4
[ 64, 64, 49, 47 ]
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Ag1 Hf2 In1
4
83
-25.513
-0.006
0.128
0
AB2C_cF16_225_a_c_b:Ag-Hf-In
-25.51298
0
0
-0.00357
-0.00357
0.119827
0.075006
AB2C_cF16_225_a_c_b:Ag-Hf-In
true
Ag1 Hf2 In1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.9680664100000005, "alpha": 60, "b": 4.9680664100000005, "beta": 60, "c": 4.9680664100000005, "gamma": 60, "matrix": [ [ 4.3024717187, 0, 2.4840332050000002 ], [ 1.4341572396, 4.0564092376, 2.4840332050000002 ], [ 0, 0, 4.9680664100000005 ] ], "volume": 86.7056063954 }, "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": [ 2.8683144792, 2.0282046188, 4.9680664100000005 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 4.3024717187, 3.0423069282, 7.452099615 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.4341572396, 1.0141023094, 2.4840332050000002 ] } ] }
wbm-1-262
wbm-1-262
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
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4
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Ag2 I4 In2
8
275.68
-20.005
-0.346
0.041
1.13
AB2C_tI16_140_b_h_a:Ag-I-In
-20.00484
-0.1895
0
-0.36783
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0.042638
0.26422
AB2C_tI16_140_b_h_a:Ag-I-In
true
Ag2 I4 In2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 7.18605494, "alpha": 107.33072229, "b": 7.18605492, "beta": 107.33072365, "c": 7.18605484, "gamma": 113.84266146, "matrix": [ [ 6.859816678, 0, -2.1406309221 ], [ -3.7109309078, 5.7694087296, -2.1406307533 ], [ 0, 0, 7.18605484 ] ], "volume": 284.4031120224 }, "sites": [ { "abc": [ 0.75, 0.75, 0 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 2.3616643277, 4.3270565472, -3.2109462566 ] }, { "abc": [ 0.25, 0.25, 0 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 0.7872214426, 1.4423521824, -1.0703154189 ] }, { "abc": [ 0.75, 0.25, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.2171297816, 1.4423521824, 1.4523965401 ] }, { "abc": [ 0.25, 0.75, 0.5 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ -1.0682440114, 4.3270565472, 1.4523966245 ] }, { "abc": [ 0.322381, 0.177619, 0.5 ], "label": "I", "species": [ { "element": "I", "occu": 1 } ], "xyz": [ 1.5523427236, 1.0247566091, 2.5227119889000003 ] }, { "abc": [ 0.8223809999999999, 0.322381, 0.144762 ], "label": "I", "species": [ { "element": "I", "occu": 1 } ], "xyz": [ 4.4450492825, 1.8599477556, -1.4102452105 ] }, { "abc": [ 0.177619, 0.677619, 0.8552379999999999 ], "label": "I", "species": [ { "element": "I", "occu": 1 } ], "xyz": [ -1.2961635123, 3.9094609739, 4.3150383751 ] }, { "abc": [ 0.677619, 0.8223809999999999, 0.5 ], "label": "I", "species": [ { "element": "I", "occu": 1 } ], "xyz": [ 1.5965430466, 4.7446521204, 0.3820811757 ] } ] }
wbm-1-263
wbm-1-263
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8
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Ag1 In1 La2
4
119.36
-16.954
-0.38
0.011
0
ABC2_cF16_225_a_b_c:Ag-In-La
-16.953894
0
0
-0.374398
-0.374398
0.005151
0.00001
ABC2_cF16_225_a_b_c:Ag-In-La
false
Ag1 In1 La2
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wbm-1-264
wbm-1-264
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4
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Ag2 In2 La2
6
155.91
-23.577
-0.427
-0.008
0
ABC_hP6_186_b_b_a:Ag-In-La
-23.577348
0
0
-0.422791
-0.422791
-0.00842
1.460355
ABC_hP6_194_c_d_a:Ag-In-La
false
Ag2 In2 La2
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wbm-1-265
wbm-1-265
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6
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Ag3 In3 La3
9
236.35
-35.554
-0.448
-0.029
0
ABC_hP9_189_ad_g_f:Ag-In-La
-35.554291
0
0
-0.44371
-0.44371
-0.029339
0.047241
ABC_hP9_189_ad_g_f:Ag-In-La
true
Ag3 In3 La3
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wbm-1-266
wbm-1-266
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9
[ 57, 57, 57, 49, 49, 49, 47, 47, 47 ]
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Ag1 In1 Nd2
4
112.63
-16.59
-0.37
0.009
0
ABC2_cF16_225_a_b_c:Ag-In-Nd
-16.590308
0
0
-0.367452
-0.367452
0.004717
0.416661
ABC2_cF16_225_a_b_c:Ag-In-Nd
false
Ag1 In1 Nd2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.9680664100000005, "alpha": 60, "b": 4.9680664100000005, "beta": 60, "c": 4.9680664100000005, "gamma": 60, "matrix": [ [ 4.3024717187, 0, 2.4840332050000002 ], [ 1.4341572396, 4.0564092376, 2.4840332050000002 ], [ 0, 0, 4.9680664100000005 ] ], "volume": 86.7056063954 }, "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": [ 2.8683144792, 2.0282046188, 4.9680664100000005 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 4.3024717187, 3.0423069282, 7.452099615 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.4341572396, 1.0141023094, 2.4840332050000002 ] } ] }
wbm-1-267
wbm-1-267
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
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4
[ 60, 60, 49, 47 ]
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Ag1 In1 Pu2
4
104.01
-34.038
0.052
0.172
0
ABC2_cF16_225_a_b_c:Ag-In-Pu
-34.035656
0
0
0.021061
0.021061
0.126374
0.346033
ABC2_cF16_225_a_b_c:Ag-In-Pu
true
Ag1 In1 Pu2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.9680664100000005, "alpha": 60, "b": 4.9680664100000005, "beta": 60, "c": 4.9680664100000005, "gamma": 60, "matrix": [ [ 4.3024717187, 0, 2.4840332050000002 ], [ 1.4341572396, 4.0564092376, 2.4840332050000002 ], [ 0, 0, 4.9680664100000005 ] ], "volume": 86.7056063954 }, "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": [ 2.8683144792, 2.0282046188, 4.9680664100000005 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 4.3024717187, 3.0423069282, 7.452099615 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.4341572396, 1.0141023094, 2.4840332050000002 ] } ] }
wbm-1-268
wbm-1-268
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
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4
[ 94, 94, 49, 47 ]
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Ag1 In1 Tb2
4
103.8
-16.432
-0.399
-0.001
0
ABC2_cF16_225_a_b_c:Ag-In-Tb
-16.432406
0
0
-0.394827
-0.394827
-0.004327
0.312296
ABC2_cF16_225_a_b_c:Ag-In-Tb
true
Ag1 In1 Tb2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.9680664100000005, "alpha": 60, "b": 4.9680664100000005, "beta": 60, "c": 4.9680664100000005, "gamma": 60, "matrix": [ [ 4.3024717187, 0, 2.4840332050000002 ], [ 1.4341572396, 4.0564092376, 2.4840332050000002 ], [ 0, 0, 4.9680664100000005 ] ], "volume": 86.7056063954 }, "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": [ 2.8683144792, 2.0282046188, 4.9680664100000005 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 4.3024717187, 3.0423069282, 7.452099615 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.4341572396, 1.0141023094, 2.4840332050000002 ] } ] }
wbm-1-269
wbm-1-269
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
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4
[ 65, 65, 49, 47 ]
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Ag1 In1 Te2
4
115.94
-11.864
0
0.235
0
ABC2_tI8_119_c_a_e:Ag-In-Te
-11.863718
-0.211
0
0.001796
-0.209204
0.288252
2.058121
ABC2_tI8_119_c_a_e:Ag-In-Te
true
Ag1 In1 Te2
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wbm-1-270
wbm-1-270
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4
[ 49, 47, 52, 52 ]
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Ag4 In4 Te4
12
338.69
-36.407
-0.126
0.095
0
ABC_oP12_62_c_c_c:Ag-In-Te
-36.407144
-0.140667
0
-0.124729
-0.265395
0.081751
1.191687
ABC_oP12_62_c_c_c:Ag-In-Te
true
Ag4 In4 Te4
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wbm-1-271
wbm-1-271
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12
[ 49, 49, 49, 49, 47, 47, 47, 47, 52, 52, 52, 52 ]
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Ag1 In1 Th2
4
111.56
-20.891
-0.123
0.097
0
ABC2_cF16_225_a_b_c:Ag-In-Th
-20.890677
0
0
-0.119644
-0.119644
0.094603
0.443601
ABC2_cF16_225_a_b_c:Ag-In-Th
true
Ag1 In1 Th2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.9680664100000005, "alpha": 60, "b": 4.9680664100000005, "beta": 60, "c": 4.9680664100000005, "gamma": 60, "matrix": [ [ 4.3024717187, 0, 2.4840332050000002 ], [ 1.4341572396, 4.0564092376, 2.4840332050000002 ], [ 0, 0, 4.9680664100000005 ] ], "volume": 86.7056063954 }, "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": [ 2.8683144792, 2.0282046188, 4.9680664100000005 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 4.3024717187, 3.0423069282, 7.452099615 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.4341572396, 1.0141023094, 2.4840332050000002 ] } ] }
wbm-1-272
wbm-1-272
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
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4
[ 90, 90, 49, 47 ]
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Ag1 In1 Tm2
4
98.34
-16.114
-0.394
-0.012
0
ABC2_cF16_225_a_b_c:Ag-In-Tm
-16.113972
0
0
-0.394518
-0.394518
-0.010505
0.23086
ABC2_cF16_225_a_b_c:Ag-In-Tm
true
Ag1 In1 Tm2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.9680664100000005, "alpha": 60, "b": 4.9680664100000005, "beta": 60, "c": 4.9680664100000005, "gamma": 60, "matrix": [ [ 4.3024717187, 0, 2.4840332050000002 ], [ 1.4341572396, 4.0564092376, 2.4840332050000002 ], [ 0, 0, 4.9680664100000005 ] ], "volume": 86.7056063954 }, "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": [ 2.8683144792, 2.0282046188, 4.9680664100000005 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 4.3024717187, 3.0423069282, 7.452099615 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.4341572396, 1.0141023094, 2.4840332050000002 ] } ] }
wbm-1-273
wbm-1-273
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
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[ [ 4.3024717187, 0, 2.4840332050000002 ], [ 1.4341572396, 4.0564092376, 2.4840332050000002 ], [ 0, 0, 4.9680664100000005 ] ]
4
[ 69, 69, 49, 47 ]
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Ag1 In1 U2
4
100.88
-25.936
0.558
0.573
0
ABC2_cF16_225_a_b_c:Ag-In-U
-25.935732
0
0
0.557842
0.557842
0.570986
0.303191
ABC2_cF16_225_a_b_c:Ag-In-U
true
Ag1 In1 U2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.9680664100000005, "alpha": 60, "b": 4.9680664100000005, "beta": 60, "c": 4.9680664100000005, "gamma": 60, "matrix": [ [ 4.3024717187, 0, 2.4840332050000002 ], [ 1.4341572396, 4.0564092376, 2.4840332050000002 ], [ 0, 0, 4.9680664100000005 ] ], "volume": 86.7056063954 }, "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": [ 2.8683144792, 2.0282046188, 4.9680664100000005 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 4.3024717187, 3.0423069282, 7.452099615 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.4341572396, 1.0141023094, 2.4840332050000002 ] } ] }
wbm-1-274
wbm-1-274
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
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4
[ 92, 92, 49, 47 ]
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Ag2 In2
4
86.46
-10.992
0.042
0.073
0
AB_cP2_221_a_b:Ag-In
-10.992017
0
0
0.044146
0.044146
0.068141
0.138432
AB_cP2_221_a_b:Ag-In
false
Ag2 In2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.81630862, "alpha": 60.00000008, "b": 4.81630863, "beta": 60.00000008, "c": 4.81630863, "gamma": 60.00000009, "matrix": [ [ 4.1710456207, 0, 2.4081543042 ], [ 1.3903485401, 3.9324995333, 2.4081543092 ], [ 0, 0, 4.81630863 ] ], "volume": 79.0001522989 }, "sites": [ { "abc": [ 0.5, 0.5, 0.5 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 2.7806970804, 1.9662497667, 4.8163086217 ] }, { "abc": [ 0, 0, 0 ], "label": "In", "species": [ { "element": "In", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 4.1710456206, 2.94937465, 7.2244629325 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.3903485402, 0.9831248833, 2.4081543108 ] } ] }
wbm-1-275
wbm-1-275
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
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4
[ 49, 49, 47, 47 ]
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Ag1 In1 Yb2
4
104.48
-10.338
-0.425
0.038
0
ABC2_cF16_225_a_b_c:Ag-In-Yb
-10.337877
0
0
-0.418594
-0.418594
0.03819
0.322533
ABC2_cF16_225_a_b_c:Ag-In-Yb
true
Ag1 In1 Yb2
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wbm-1-276
wbm-1-276
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.75, 0.75, 0.75 ], [ 0.25, 0.25, 0.25 ] ]
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4
[ 70, 70, 49, 47 ]
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Ag1 Hg1 Ir2
4
67.16
-17.905
0.739
0.739
0
ABC2_cF16_225_a_b_c:Ag-Hg-Ir
-17.905437
0
0
0.726916
0.726916
0.726917
0.001021
ABC2_cF16_225_a_b_c:Ag-Hg-Ir
true
Ag1 Hg1 Ir2
{ "@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": "Ir", "species": [ { "element": "Ir", "occu": 1 } ], "xyz": [ 2.6677071606, 1.886342728, 4.6205864797 ] }, { "abc": [ 0, 0, 0 ], "label": "Ir", "species": [ { "element": "Ir", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-277
wbm-1-277
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4
[ 47, 80, 77, 77 ]
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Ag1 Ir3
4
60.84
-27.485
0.484
0.484
0
AB3_cP4_221_a_c:Ag-Ir
-27.484642
0
0
0.46579
0.46579
0.465804
0
AB3_cP4_221_a_c:Ag-Ir
true
Ag1 Ir3
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.00684419, "alpha": 90, "b": 4.00684419, "beta": 90, "c": 4.00684419, "gamma": 90, "matrix": [ [ 4.00684419, 0, 2.453484456e-16 ], [ 6.443496896e-16, 4.00684419, 2.453484456e-16 ], [ 0, 0, 4.00684419 ] ], "volume": 64.3290835558 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0, 0.5, 0.5 ], "label": "Ir", "species": [ { "element": "Ir", "occu": 1 } ], "xyz": [ 3.221748448e-16, 2.003422095, 2.003422095 ] }, { "abc": [ 0.5, 0.5, 0 ], "label": "Ir", "species": [ { "element": "Ir", "occu": 1 } ], "xyz": [ 2.003422095, 2.003422095, 2.453484456e-16 ] }, { "abc": [ 0.5, 0, 0.5 ], "label": "Ir", "species": [ { "element": "Ir", "occu": 1 } ], "xyz": [ 2.003422095, 0, 2.003422095 ] } ] }
wbm-1-278
wbm-1-278
[ [ 0, 0, 0 ], [ 0, 0.5, 0.5 ], [ 0.5, 0.5, 0 ], [ 0.5, 0, 0.5 ] ]
[ [ 0, 0, 0 ], [ 3.221748448e-16, 2.003422095, 2.003422095 ], [ 2.0034220950000003, 2.003422095, 2.453484456e-16 ], [ 2.003422095, 0, 2.003422095 ] ]
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[ [ 4.00684419, 0, 2.453484456e-16 ], [ 6.443496896e-16, 4.00684419, 2.453484456e-16 ], [ 0, 0, 4.00684419 ] ]
4
[ 47, 77, 77, 77 ]
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Ag1 Bi2 Ir1
4
88.36
-18.367
0.281
0.291
0
AB2C_cF16_225_a_c_b:Ag-Bi-Ir
-18.366903
0
0
0.246274
0.246274
0.291298
0.869012
AB2C_cF16_225_a_c_b:Ag-Bi-Ir
true
Ag1 Bi2 Ir1
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wbm-1-279
wbm-1-279
[ [ 0.249997, 0.250001, 0.250001 ], [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ] ]
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[ [ 4.6803485236, 0, 2.70220048 ], [ 1.5601161745, 4.4126749058, 2.70220048 ], [ 0, 0, 5.40440096 ] ]
4
[ 47, 83, 83, 77 ]
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Ag1 Ir1 Np2
4
86.09
-36.946
0.157
0.343
0
ABC2_cF16_225_a_b_c:Ag-Ir-Np
-36.94638
0
0
0.155055
0.155055
0.321364
0.462584
ABC2_cF16_225_a_b_c:Ag-Ir-Np
true
Ag1 Ir1 Np2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.40440096, "alpha": 60, "b": 5.40440096, "beta": 60, "c": 5.40440096, "gamma": 60, "matrix": [ [ 4.6803485236, 0, 2.70220048 ], [ 1.5601161745, 4.4126749058, 2.70220048 ], [ 0, 0, 5.40440096 ] ], "volume": 111.6163173899 }, "sites": [ { "abc": [ 0.5, 0.5, 0.5 ], "label": "Np", "species": [ { "element": "Np", "occu": 1 } ], "xyz": [ 3.1202323491, 2.2063374529, 5.40440096 ] }, { "abc": [ 0, 0, 0 ], "label": "Np", "species": [ { "element": "Np", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.249997, 0.250001, 0.250001 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5601036936, 1.1031731391, 2.70220048 ] }, { "abc": [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ], "label": "Ir", "species": [ { "element": "Ir", "occu": 1 } ], "xyz": [ 4.6803360427000005, 3.309510592, 8.10660144 ] } ] }
wbm-1-280
wbm-1-280
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.249997, 0.250001, 0.250001 ], [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ] ]
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4
[ 93, 93, 47, 77 ]
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Ag1 Ir1 Pu2
4
87.57
-41.042
-0.172
0.101
0
ABC2_cF16_225_a_b_c:Ag-Ir-Pu
-41.04224
0
0
-0.20891
-0.20891
0.077407
0.013191
ABC2_cF16_225_a_b_c:Ag-Ir-Pu
true
Ag1 Ir1 Pu2
{ "@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": "Pu", "species": [ { "element": "Pu", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.49999699999999997, 0.500001, 0.500001 ], "label": "Pu", "species": [ { "element": "Pu", "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-1-281
wbm-1-281
[ [ 0, 0, 0 ], [ 0.49999699999999997, 0.500001, 0.500001 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ] ]
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4
[ 94, 94, 47, 77 ]
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Ag1 Ir1 Th2
4
97.19
-28.075
-0.391
0.2
0
ABC2_cF16_225_a_b_c:Ag-Ir-Th
-28.074956
0
0
-0.394039
-0.394039
0.198625
0.209218
ABC2_cF16_225_a_b_c:Ag-Ir-Th
true
Ag1 Ir1 Th2
{ "@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": "Th", "species": [ { "element": "Th", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.49999699999999997, 0.500001, 0.500001 ], "label": "Th", "species": [ { "element": "Th", "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-1-282
wbm-1-282
[ [ 0, 0, 0 ], [ 0.49999699999999997, 0.500001, 0.500001 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ] ]
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4
[ 90, 90, 47, 77 ]
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Ag1 Ir1 U2
4
85.75
-33.711
0.142
0.437
0
ABC2_cF16_225_a_b_c:Ag-Ir-U
-33.71064
0
0
0.13579
0.13579
0.384275
0.058499
ABC2_cF16_225_a_b_c:Ag-Ir-U
true
Ag1 Ir1 U2
{ "@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": "U", "species": [ { "element": "U", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.49999699999999997, 0.500001, 0.500001 ], "label": "U", "species": [ { "element": "U", "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-1-283
wbm-1-283
[ [ 0, 0, 0 ], [ 0.49999699999999997, 0.500001, 0.500001 ], [ 0.25, 0.25, 0.25 ], [ 0.75, 0.75, 0.75 ] ]
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4
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Ag4 I4
8
317.31
-18.972
-0.198
-0.158
2.36
AB_tP8_138_c_e:Ag-I
-18.971991
-0.1895
0
-0.218499
-0.407999
0.08783
0.092058
AB_tP8_138_c_e:Ag-I
true
Ag4 I4
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wbm-1-284
wbm-1-284
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[ [ 4.60530237, 0, 2.819934403e-16 ], [ 7.40589105e-16, 4.60530237, 2.819934403e-16 ], [ 0, 0, 15.00921448 ] ]
8
[ 47, 47, 47, 47, 53, 53, 53, 53 ]
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Ag1 Hg1 La2
4
115.92
-14.538
-0.388
-0
0
ABC2_cF16_225_a_b_c:Ag-Hg-La
-14.538263
0
0
-0.382491
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0.007541
0.318038
ABC2_cF16_225_a_b_c:Ag-Hg-La
false
Ag1 Hg1 La2
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wbm-1-285
wbm-1-285
[ [ 0, 0, 0 ], [ 0.5, 0.5, 0.5 ], [ 0.249997, 0.250001, 0.250001 ], [ 0.75, 0.75, 0.75 ] ]
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4
[ 57, 57, 47, 80 ]
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Ag1 La2 Os1
4
98.69
-24.368
-0.117
0.088
0
AB2C_cF16_225_a_c_b:Ag-La-Os
-24.367928
0
0
-0.108982
-0.108982
0.079796
0.033657
AB2C_cF16_225_a_c_b:Ag-La-Os
true
Ag1 La2 Os1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.2111015, "alpha": 60, "b": 5.2111015, "beta": 60, "c": 5.2111015, "gamma": 60, "matrix": [ [ 4.5129462807, 0, 2.60555075 ], [ 1.5043154268999999, 4.2548465576, 2.60555075 ], [ 0, 0, 5.2111015 ] ], "volume": 100.0630183508 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.49999699999999997, 0.500001, 0.500001 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 3.0086188193, 2.1274275337, 5.2111015 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5043154268999999, 1.0637116394, 2.60555075 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Os", "species": [ { "element": "Os", "occu": 1 } ], "xyz": [ 4.5129462807, 3.1911349182, 7.81665225 ] } ] }
wbm-1-286
wbm-1-286
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4
[ 57, 57, 47, 76 ]
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Ag1 La2 Pb1
4
121.1
-18.224
-0.46
0.033
0
AB2C_cF16_225_a_c_b:Ag-La-Pb
-18.223805
0
0
-0.451651
-0.451651
0.031344
0.00001
AB2C_cF16_225_a_c_b:Ag-La-Pb
true
Ag1 La2 Pb1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.52371137, "alpha": 60, "b": 5.52371137, "beta": 60, "c": 5.52371137, "gamma": 60, "matrix": [ [ 4.7836743696, 0, 2.761855685 ], [ 1.5945581232000001, 4.5100914476, 2.761855685 ], [ 0, 0, 5.52371137 ] ], "volume": 119.1730170198 }, "sites": [ { "abc": [ 0.5, 0.5, 0.5 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 3.1891162464, 2.2550457238, 5.52371137 ] }, { "abc": [ 0, 0, 0 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.250003, 0.249999, 0.249999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5945708797, 1.1275183518, 2.761855685 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Pb", "species": [ { "element": "Pb", "occu": 1 } ], "xyz": [ 4.7836743696, 3.3825685857, 8.285567055 ] } ] }
wbm-1-287
wbm-1-287
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ], [ 0.250003, 0.249999, 0.249999 ], [ 0.75, 0.75, 0.75 ] ]
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4
[ 57, 57, 47, 82 ]
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Ag1 La2 Pt1
4
103.87
-21.414
-0.669
0.065
0
AB2C_cF16_225_a_c_b:Ag-La-Pt
-21.413629
0
0
-0.659482
-0.659482
0.066415
0.059368
AB2C_cF16_225_a_c_b:Ag-La-Pt
true
Ag1 La2 Pt1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 5.2111015, "alpha": 60, "b": 5.2111015, "beta": 60, "c": 5.2111015, "gamma": 60, "matrix": [ [ 4.5129462807, 0, 2.60555075 ], [ 1.5043154268999999, 4.2548465576, 2.60555075 ], [ 0, 0, 5.2111015 ] ], "volume": 100.0630183508 }, "sites": [ { "abc": [ 0, 0, 0 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.49999699999999997, 0.500001, 0.500001 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 3.0086188193, 2.1274275337, 5.2111015 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5043154268999999, 1.0637116394, 2.60555075 ] }, { "abc": [ 0.75, 0.75, 0.75 ], "label": "Pt", "species": [ { "element": "Pt", "occu": 1 } ], "xyz": [ 4.5129462807, 3.1911349182, 7.81665225 ] } ] }
wbm-1-288
wbm-1-288
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4
[ 57, 57, 47, 78 ]
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Ag2 Bi4 La2
8
229.5
-35.859
-0.594
-0.049
0
AB2C_tP8_129_a_bc_c:Ag-Bi-La
-35.858917
0
0
-0.619965
-0.619965
-0.055038
0.373248
AB2C_tP8_129_a_bc_c:Ag-Bi-La
true
Ag2 Bi4 La2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.4401750700000004, "alpha": 90, "b": 4.4401750700000004, "beta": 90, "c": 10.95320882, "gamma": 90, "matrix": [ [ 4.4401750700000004, 0, 2.718823094e-16 ], [ 7.140346099e-16, 4.4401750700000004, 2.718823094e-16 ], [ 0, 0, 10.95320882 ] ], "volume": 215.9442058247 }, "sites": [ { "abc": [ 0.75, 0.75, 0.260459 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 3.3301313025, 3.3301313025, 2.852861816 ] }, { "abc": [ 0.25, 0.25, 0.739541 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 1.1100437675000001, 1.1100437675000001, 8.100347004 ] }, { "abc": [ 0.75, 0.25, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.3301313025, 1.1100437675000001, 2.718823094e-16 ] }, { "abc": [ 0.25, 0.75, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.1100437675000001, 3.3301313025, 2.718823094e-16 ] }, { "abc": [ 0.75, 0.75, 0.828475 ], "label": "Bi", "species": [ { "element": "Bi", "occu": 1 } ], "xyz": [ 3.3301313025, 3.3301313025, 9.0744596771 ] }, { "abc": [ 0.25, 0.25, 0.17152499999999998 ], "label": "Bi", "species": [ { "element": "Bi", "occu": 1 } ], "xyz": [ 1.1100437675000001, 1.1100437675000001, 1.8787491429 ] }, { "abc": [ 0.75, 0.25, 0.5 ], "label": "Bi", "species": [ { "element": "Bi", "occu": 1 } ], "xyz": [ 3.3301313025, 1.1100437675000001, 5.47660441 ] }, { "abc": [ 0.25, 0.75, 0.5 ], "label": "Bi", "species": [ { "element": "Bi", "occu": 1 } ], "xyz": [ 1.1100437675000001, 3.3301313025, 5.47660441 ] } ] }
wbm-1-289
wbm-1-289
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8
[ 57, 57, 47, 47, 83, 83, 83, 83 ]
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Ag3 La3 Pb3
9
250.66
-38.602
-0.47
-0.046
0
ABC_hP9_189_f_g_bc:Ag-La-Pb
-38.601503
0
0
-0.461989
-0.461989
0.040765
0.105675
ABC_hP9_189_f_g_bc:Ag-La-Pb
true
Ag3 La3 Pb3
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wbm-1-290
wbm-1-290
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[ [ 4.56053575, 0, 2.792522754e-16 ], [ 0, 6.5659975701, -3.7908804661 ], [ 0, 0, 7.58176093 ] ]
9
[ 57, 57, 57, 47, 47, 47, 82, 82, 82 ]
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Ag2 La2 Pb2
6
168.19
-25.752
-0.473
-0.049
0
ABC_hP6_194_c_a_d:Ag-La-Pb
-25.751643
0
0
-0.464874
-0.464874
0.03788
0.045335
ABC_hP6_194_c_a_d:Ag-La-Pb
true
Ag2 La2 Pb2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.90707104, "alpha": 90, "b": 4.90739107, "beta": 90, "c": 8.06045613, "gamma": 119.99784278999999, "matrix": [ [ 4.90707104, 0, 3.004714421e-16 ], [ -2.4535355218, 4.2500177126, 3.004910383e-16 ], [ 0, 0, 8.06045613 ] ], "volume": 168.1019316795 }, "sites": [ { "abc": [ 0, 0, 0.5 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 0, 0, 4.030228065 ] }, { "abc": [ 0, 0, 0 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 0, 0, 0 ] }, { "abc": [ 0.33333333330000003, 0.6666666667000001, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ -1.2e-9, 2.8333451417, 2.0151140325 ] }, { "abc": [ 0.6666666667000001, 0.33333333330000003, 0.75 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.4535355194, 1.4166725709, 6.0453420975 ] }, { "abc": [ 0.333368, 0.666736, 0.75 ], "label": "Pb", "species": [ { "element": "Pb", "occu": 1 } ], "xyz": [ -1.2e-9, 2.8336398096, 6.0453420975 ] }, { "abc": [ 0.6666666667000001, 0.333264, 0.25 ], "label": "Pb", "species": [ { "element": "Pb", "occu": 1 } ], "xyz": [ 2.4537056312, 1.416377903, 2.0151140325 ] } ] }
wbm-1-291
wbm-1-291
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6
[ 57, 57, 47, 47, 82, 82 ]
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Ag1 La1 Pt2
4
83.44
-22.171
-0.576
0.239
0
ABC2_cF16_225_a_b_c:Ag-La-Pt
-22.171205
0
0
-0.565101
-0.565101
0.241963
0.115596
ABC2_cF16_225_a_b_c:Ag-La-Pt
true
Ag1 La1 Pt2
{ "@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": "La", "species": [ { "element": "La", "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": "Pt", "species": [ { "element": "Pt", "occu": 1 } ], "xyz": [ 2.9319116394, 2.0731621631, 5.07819961 ] }, { "abc": [ 0, 0, 0 ], "label": "Pt", "species": [ { "element": "Pt", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-292
wbm-1-292
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4
[ 57, 47, 78, 78 ]
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Ag4 La4
8
231.05
-33.199
-0.272
-0.043
0
AB_oP8_62_c_c:Ag-La
-33.198705
0
0
-0.265538
-0.265538
-0.0114
0.164412
AB_oP8_62_c_c:Ag-La
true
Ag4 La4
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.89584656, "alpha": 90, "b": 6.02726759, "beta": 90, "c": 7.59244633, "gamma": 90, "matrix": [ [ 4.89584656, 0, 2.997841409e-16 ], [ 9.692585527e-16, 6.02726759, 3.6906369809999996e-16 ], [ 0, 0, 7.59244633 ] ], "volume": 224.0422893999 }, "sites": [ { "abc": [ 0.25, 0.645647, 0.184479 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 1.22396164, 3.8914872377, 1.4006469065 ] }, { "abc": [ 0.75, 0.354353, 0.8155209999999999 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 3.67188492, 2.1357803523, 6.1917994235 ] }, { "abc": [ 0.75, 0.145647, 0.315521 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 3.67188492, 0.8778534427, 2.3955762585 ] }, { "abc": [ 0.25, 0.8543529999999999, 0.684479 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 1.22396164, 5.1494141473, 5.1968700715 ] }, { "abc": [ 0.25, 0.151586, 0.040972999999999996 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.22396164, 0.9136493849, 0.3110853035 ] }, { "abc": [ 0.75, 0.848414, 0.959027 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.67188492, 5.1136182051, 7.2813610265 ] }, { "abc": [ 0.75, 0.651586, 0.45902699999999996 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 3.67188492, 3.9272831799, 3.4851378615 ] }, { "abc": [ 0.25, 0.348414, 0.5409729999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.22396164, 2.0999844101, 4.1073084685 ] } ] }
wbm-1-293
wbm-1-293
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8
[ 57, 57, 57, 57, 47, 47, 47, 47 ]
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Ag2 La2
4
115.59
-16.562
-0.263
-0.034
0
AB_oC8_63_c_c:Ag-La
-16.561663
0
0
-0.256116
-0.256116
-0.001978
0.280334
AB_oC8_63_c_c:Ag-La
true
Ag2 La2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.00079449, "alpha": 90, "b": 4.88579989, "beta": 109.17938551, "c": 6.0889917, "gamma": 90, "matrix": [ [ 3.7787289207, 0, -1.3143684017 ], [ 7.856965464999999e-16, 4.88579989, 2.991689598e-16 ], [ 0, 0, 6.0889917 ] ], "volume": 112.4156549215 }, "sites": [ { "abc": [ 0.8642869999999999, 0.25, 0.7285739999999999 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 3.2659062826, 1.2214499725, 3.300289516 ] }, { "abc": [ 0.135713, 0.75, 0.271426 ], "label": "La", "species": [ { "element": "La", "occu": 1 } ], "xyz": [ 0.512822638, 3.6643499175, 1.4743337823 ] }, { "abc": [ 0.5871879999999999, 0.25, 0.174376 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.2188242775, 1.2214499725, 0.28999266360000003 ] }, { "abc": [ 0.41281199999999996, 0.75, 0.8256239999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5599046431999999, 3.6643499175, 4.4846306347 ] } ] }
wbm-1-294
wbm-1-294
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4
[ 57, 57, 47, 47 ]
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Ag1 Lu2
3
75.65
-12.446
-0.188
0.048
0
AB2_tI6_139_a_e:Ag-Lu
-12.445902
0
0
-0.190434
-0.190434
-0.01993
0.718786
AB2_tI6_139_a_e:Ag-Lu
true
Ag1 Lu2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 3.21983056, "alpha": 104.47198744, "b": 3.21983056, "beta": 104.4719874, "c": 6.44206696, "gamma": 89.99999994, "matrix": [ [ 3.1176651382, 0, -0.8046570207 ], [ -0.20767878620000002, 3.1107403351, -0.8046570229000001 ], [ 0, 0, 6.44206696 ] ], "volume": 62.4767546157 }, "sites": [ { "abc": [ 0.334468, 0.334468, 0.668936 ], "label": "Lu", "species": [ { "element": "Lu", "occu": 1 } ], "xyz": [ 0.9732973152000001, 1.0404430984, 3.7710664544 ] }, { "abc": [ 0.665532, 0.665532, 0.33106399999999997 ], "label": "Lu", "species": [ { "element": "Lu", "occu": 1 } ], "xyz": [ 1.9366890368, 2.0702972367, 1.061686462 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-295
wbm-1-295
[ [ 0.334468, 0.334468, 0.668936 ], [ 0.665532, 0.665532, 0.33106399999999997 ], [ 0, 0, 0 ] ]
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[ [ 3.1176651382, 0, -0.8046570207 ], [ -0.20767878620000002, 3.1107403351, -0.8046570229000001 ], [ 0, 0, 6.44206696 ] ]
3
[ 71, 71, 47 ]
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Ag1 Au2 Lu1
4
79.36
-16.322
-0.605
0.063
0
AB2C_cF16_225_a_c_b:Ag-Au-Lu
-16.322388
0
0
-0.605247
-0.605247
0.063353
0.171642
AB2C_cF16_225_a_c_b:Ag-Au-Lu
true
Ag1 Au2 Lu1
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wbm-1-296
wbm-1-296
[ [ 0.7499969999999999, 0.7500009999999999, 0.7500009999999999 ], [ 0.25, 0.25, 0.25 ], [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], [ 0, 0, 0 ] ]
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[ [ 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
[ 71, 47, 79, 79 ]
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Ag1 Hg2 Lu1
4
90.47
-8.78
-0.204
0.073
0
AB2C_cF16_225_a_c_b:Ag-Hg-Lu
-8.779597
0
0
-0.204649
-0.204649
0.083185
1.715439
AB2C_tP4_123_a_e_c:Ag-Hg-Lu
true
Ag1 Hg2 Lu1
{ "@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": "Lu", "species": [ { "element": "Lu", "occu": 1 } ], "xyz": [ 4.5120898791, 3.1905156727, 7.8151293076 ] }, { "abc": [ 0.25, 0.25, 0.25 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 1.5040314637, 1.0635052242, 2.6050422342 ] }, { "abc": [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], "label": "Hg", "species": [ { "element": "Hg", "occu": 1 } ], "xyz": [ 3.0080749597, 2.1270061945, 5.2100844684 ] }, { "abc": [ 0, 0, 0 ], "label": "Hg", "species": [ { "element": "Hg", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-297
wbm-1-297
[ [ 0.749999, 0.75, 0.7500009999999999 ], [ 0.25, 0.25, 0.25 ], [ 0.500003, 0.49999899999999997, 0.49999899999999997 ], [ 0, 0, 0 ] ]
[ [ 4.5120898791575375, 3.190515672675, 7.815129307546684 ], [ 1.50403146375, 1.063505224225, 2.6050422341750004 ], [ 3.0080749597439973, 2.127006194429103, 5.210084468398765 ], [ 0, 0, 0 ] ]
[ [ 4.5120898791575375, 3.190515672675, 7.815129307546684 ], [ 1.50403146375, 1.063505224225, 2.6050422341750004 ], [ 3.0080749597439973, 2.127006194429103, 5.210084468398765 ], [ 0, 0, 0 ] ]
[ [ 4.5120924631, 0, 2.6050544255 ], [ 1.5040333919000002, 4.2540208969, 2.6050384012 ], [ 0, 0, 5.21007611 ] ]
4
[ 71, 47, 80, 80 ]
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Ag2 Lu2 Pb2
6
146.42
-24.048
-0.323
-0.015
0
ABC_hP6_186_b_a_b:Ag-Lu-Pb
-24.04818
0
0
-0.319297
-0.319297
-0.015518
0.364982
ABC_hP6_186_b_a_b:Ag-Lu-Pb
true
Ag2 Lu2 Pb2
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 4.95583145, "alpha": 90, "b": 4.95583145, "beta": 90, "c": 7.92033416, "gamma": 120.00000002, "matrix": [ [ 4.95583145, 0, 3.034571561e-16 ], [ -2.4779157265, 4.2918759317, 3.034571561e-16 ], [ 0, 0, 7.92033416 ] ], "volume": 168.4640321981 }, "sites": [ { "abc": [ 0, 0, 0.9879969999999999 ], "label": "Lu", "species": [ { "element": "Lu", "occu": 1 } ], "xyz": [ 0, 0, 7.8252663891 ] }, { "abc": [ 0, 0, 0.48799699999999996 ], "label": "Lu", "species": [ { "element": "Lu", "occu": 1 } ], "xyz": [ 0, 0, 3.8650993091 ] }, { "abc": [ 0.33333333330000003, 0.6666666667000001, 0.6841769999999999 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ -1e-9, 2.8612506211, 5.4189104646 ] }, { "abc": [ 0.6666666667000001, 0.33333333330000003, 0.18417699999999998 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 2.4779157245, 1.4306253106, 1.4587433846 ] }, { "abc": [ 0.6666666667000001, 0.33333333330000003, 0.770825 ], "label": "Pb", "species": [ { "element": "Pb", "occu": 1 } ], "xyz": [ 2.4779157245, 1.4306253106, 6.1051915789 ] }, { "abc": [ 0.33333333330000003, 0.6666666667000001, 0.270825 ], "label": "Pb", "species": [ { "element": "Pb", "occu": 1 } ], "xyz": [ -1e-9, 2.8612506211, 2.1450244989 ] } ] }
wbm-1-298
wbm-1-298
[ [ 0, 0, 0.9879969999999999 ], [ 0, 0, 0.48799699999999996 ], [ 0.33333333330000003, 0.6666666667000001, 0.6841769999999999 ], [ 0.6666666667000001, 0.33333333330000003, 0.18417699999999998 ], [ 0.6666666667000001, 0.33333333330000003, 0.770825 ], [ 0.33333333330000003, 0.6666666667000001, 0.270825 ] ]
[ [ 0, 0, 7.82526638907752 ], [ 0, 0, 3.86509930907752 ], [ -1.2477916477848794e-9, 2.861250621276396, 5.41891046458632 ], [ 2.477915724747792, 1.4306253104236042, 1.45874338458632 ], [ 2.477915724747792, 1.4306253104236042, 6.105191578882 ], [ -1.2477916477848794e-9, 2.861250621276396, 2.1450244988820004 ] ]
[ [ 0, 0, 7.82526638907752 ], [ 0, 0, 3.86509930907752 ], [ -1.2477916477848794e-9, 2.861250621276396, 5.41891046458632 ], [ 2.477915724747792, 1.4306253104236042, 1.45874338458632 ], [ 2.477915724747792, 1.4306253104236042, 6.105191578882 ], [ -1.2477916477848794e-9, 2.861250621276396, 2.1450244988820004 ] ]
[ [ 4.95583145, 0, 3.034571561e-16 ], [ -2.4779157265, 4.2918759317, 3.034571561e-16 ], [ 0, 0, 7.92033416 ] ]
6
[ 71, 71, 47, 47, 82, 82 ]
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Ag2 Lu2
4
92.26
-15.623
-0.229
0.055
0
AB_tP4_129_c_c:Ag-Lu
-15.623411
0
0
-0.229053
-0.229053
0.026727
0.731133
AB_tP4_129_c_c:Ag-Lu
true
Ag2 Lu2
{ "@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": "Lu", "species": [ { "element": "Lu", "occu": 1 } ], "xyz": [ 2.58386634, 2.58386634, 5.7253227217 ] }, { "abc": [ 0.25, 0.25, 0.140034 ], "label": "Lu", "species": [ { "element": "Lu", "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-1-299
wbm-1-299
[ [ 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
[ 71, 71, 47, 47 ]
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Ag1 Lu1
2
45.18
-8.064
-0.355
-0.071
0
AB_cP2_221_a_b:Ag-Lu
-8.064297
0
0
-0.355349
-0.355349
-0.099568
0.110908
AB_cP2_221_a_b:Ag-Lu
true
Ag1 Lu1
{ "@class": "Structure", "@module": "pymatgen.core.structure", "charge": null, "lattice": { "a": 3.65352296, "alpha": 90, "b": 3.65352296, "beta": 90, "c": 3.65352296, "gamma": 90, "matrix": [ [ 3.65352296, 0, 2.237137599e-16 ], [ 5.875313023000001e-16, 3.65352296, 2.237137599e-16 ], [ 0, 0, 3.65352296 ] ], "volume": 48.7680648507 }, "sites": [ { "abc": [ 0.5, 0.5, 0.5 ], "label": "Lu", "species": [ { "element": "Lu", "occu": 1 } ], "xyz": [ 1.82676148, 1.82676148, 1.82676148 ] }, { "abc": [ 0, 0, 0 ], "label": "Ag", "species": [ { "element": "Ag", "occu": 1 } ], "xyz": [ 0, 0, 0 ] } ] }
wbm-1-300
wbm-1-300
[ [ 0.5, 0.5, 0.5 ], [ 0, 0, 0 ] ]
[ [ 1.8267614800000003, 1.82676148, 1.8267614800000003 ], [ 0, 0, 0 ] ]
[ [ 1.8267614800000003, 1.82676148, 1.8267614800000003 ], [ 0, 0, 0 ] ]
[ [ 3.65352296, 0, 2.237137599e-16 ], [ 5.875313023000001e-16, 3.65352296, 2.237137599e-16 ], [ 0, 0, 3.65352296 ] ]
2
[ 71, 47 ]
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