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albertvillanova

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carbon_24

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C-130499-1826-36

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48053000 _cell_length_b 5.09056000 _cell_length_c 4.89497000 _cell_angle_alpha 57.97521000 _cell_angle_beta 59.51109000 _cell_angle_gamma 43.04559000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 34.99453900 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 1.01706897 0.71072668 0.70544499 1 C C1 1 0.68025235 0.06989044 1.00318540 1 C C2 1 0.14234414 0.62471612 0.20939241 1 C C3 1 0.34433233 0.10871703 0.78081493 1 C C4 1 -0.11663885 0.55405962 0.57440517 1 C C5 1 0.00817595 0.46805771 0.07810120 1

C-13904-4247-31

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48986000 _cell_length_b 4.65679000 _cell_length_c 5.94592000 _cell_angle_alpha 90.03290000 _cell_angle_beta 77.93642000 _cell_angle_gamma 57.67568000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 56.44264567 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.63628756 0.17653474 0.74659929 1 C C1 1 0.07535339 0.47745056 0.26783806 1 C C2 1 0.47656240 0.62130397 0.17699556 1 C C3 1 0.06673747 -0.03265767 0.30664321 1 C C4 1 0.46932917 0.11075260 0.21501637 1 C C5 1 0.76118709 0.95179661 0.94805867 1 C C6 1 0.03982870 0.87451288 0.54687266 1 C C7 1 0.90702757 0.41074852 0.73684904 1 C C8 1 0.78466636 0.63535708 0.53492922 1 C C9 1 0.50570438 0.71315951 0.93646533 1

C-92138-4782-35

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.44168000 _cell_length_b 4.79849000 _cell_length_c 5.95909000 _cell_angle_alpha 119.73602000 _cell_angle_beta 101.56104000 _cell_angle_gamma 75.51457000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 58.45546221 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.56087068 0.98174403 0.47974027 1 C C1 1 -0.00468803 0.20581332 0.57242993 1 C C2 1 0.10601614 0.54447837 0.11818192 1 C C3 1 0.24636631 0.94304704 0.81685708 1 C C4 1 1.35930436 0.00018133 0.08565585 1 C C5 1 0.27834010 0.35580160 0.27822078 1 C C6 1 0.82177471 0.43862322 0.45647310 1 C C7 1 1.09775665 0.28398424 0.84967659 1 C C8 1 0.52976238 0.76893040 0.19162340 1 C C9 1 0.73345471 0.79690556 0.64274427 1

C-192672-505-73

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47518000 _cell_length_b 4.18933000 _cell_length_c 11.18377000 _cell_angle_alpha 100.54005000 _cell_angle_beta 77.38712000 _cell_angle_gamma 89.87842000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C20 _cell_volume 111.15331676 _cell_formula_units_Z 20 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.99425098 -0.05270840 0.87298760 1 C C1 1 0.20780895 0.98257598 0.48645625 1 C C2 1 0.55903991 0.76830293 0.66196963 1 C C3 1 0.98045613 0.87377968 0.21382739 1 C C4 1 0.54531871 0.40571605 0.62029106 1 C C5 1 0.70048026 0.20680529 0.48557149 1 C C6 1 0.14597751 0.31635265 0.87666066 1 C C7 1 0.70956686 -0.05319318 1.01440936 1 C C8 1 0.55630748 0.78170833 0.80820666 1 C C9 1 0.97056021 0.28574060 0.67845460 1 C C10 1 -0.07019528 0.23869702 0.25287497 1 C C11 1 -0.20381595 0.43478246 0.39097401 1 C C12 1 0.08176142 0.93163262 0.62383187 1 C C13 1 1.13574889 0.44150227 1.01530047 1 C C14 1 0.70770196 0.42040658 0.81350039 1 C C15 1 0.47735730 0.36638362 0.19963017 1 C C16 1 1.29694166 0.66063079 0.39252762 1 C C17 1 0.14328388 0.80094160 1.06294396 1 C C18 1 0.60348283 0.30110751 0.06362084 1 C C19 1 0.43587779 0.71862349 0.25595082 1

C-193956-5355-22

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39500000 _cell_length_b 4.81978000 _cell_length_c 3.65211000 _cell_angle_alpha 112.26885000 _cell_angle_beta 128.35152000 _cell_angle_gamma 77.74360000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 43.34806182 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.35890301 0.71636072 -0.04863116 1 C C1 1 0.35903523 0.41031263 0.67934984 1 C C2 1 0.35837196 0.21649154 0.89199672 1 C C3 1 0.35956628 -0.08981820 0.73872197 1 C C4 1 0.35652350 0.41000961 0.29657729 1 C C5 1 0.36141474 0.71666373 0.33414139 1

C-176661-8591-28

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17840000 _cell_length_b 4.67784000 _cell_length_c 4.67703000 _cell_angle_alpha 77.42149000 _cell_angle_beta 89.78550000 _cell_angle_gamma 90.21686000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C14 _cell_volume 89.22094520 _cell_formula_units_Z 14 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.79319063 0.75164920 0.50167715 1 C C1 1 0.92914556 0.01359753 1.23955906 1 C C2 1 0.29882896 1.00669402 0.24672037 1 C C3 1 0.43484571 -0.00660858 0.93996386 1 C C4 1 0.42363742 0.76146923 0.49182577 1 C C5 1 -0.21426580 0.28554450 0.30859291 1 C C6 1 0.36825967 0.29477952 0.77952112 1 C C7 1 0.93591250 0.47736558 0.43605272 1 C C8 1 0.78567653 0.94405452 -0.03227782 1 C C9 1 0.28790823 0.77196915 0.80058604 1 C C10 1 0.28791864 0.45300393 0.48067330 1 C C11 1 0.36841926 0.47322437 0.95859398 1 C C12 1 0.43496050 0.31287983 0.25987177 1 C C13 1 -0.06412471 0.81644950 0.77597978 1

C-177252-751-44

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.43246000 _cell_length_b 7.19986000 _cell_length_c 6.61497000 _cell_angle_alpha 48.50971000 _cell_angle_beta 89.98176000 _cell_angle_gamma 90.01706000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 86.77982369 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.40261223 0.01807284 1.04725383 1 C C1 1 -0.09739547 0.07391724 0.10248974 1 C C2 1 0.40265280 0.35139691 0.38048140 1 C C3 1 0.90267751 0.85139371 0.88048986 1 C C4 1 0.90244280 0.18441847 0.21416081 1 C C5 1 -0.09740558 0.51813482 0.54721643 1 C C6 1 0.90238827 0.74072587 -0.23076476 1 C C7 1 0.40268026 -0.09238242 0.93549619 1 C C8 1 0.40258565 0.57401109 0.60241192 1 C C9 1 0.40237900 0.68444962 0.71413438 1 C C10 1 0.40244503 0.24074398 0.26921995 1 C C11 1 -0.09735208 0.40763976 0.43548095 1

C-170900-9651-22

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.50566000 _cell_length_b 4.79040000 _cell_length_c 5.85223000 _cell_angle_alpha 80.64259000 _cell_angle_beta 84.75947000 _cell_angle_gamma 78.56324000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 67.80708353 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.08518132 0.42152882 0.49143519 1 C C1 1 0.51293181 0.55044378 0.06567351 1 C C2 1 1.01513524 0.41468154 0.74991714 1 C C3 1 0.52406816 0.77846661 0.20318916 1 C C4 1 0.43829299 0.57697684 0.81668329 1 C C5 1 0.11408789 0.09959496 0.87850026 1 C C6 1 0.58762462 0.28583830 0.17628415 1 C C7 1 0.29095733 0.89079217 0.69808539 1 C C8 1 0.66169676 0.25930284 0.42477088 1 C C9 1 0.57257741 1.05746080 0.03991210 1 C C10 1 0.98220076 0.73641704 0.36422617 1 C C11 1 0.80345800 0.94564431 0.54456226 1

C-130544-211-29

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.51187000 _cell_length_b 4.11132000 _cell_length_c 4.19172000 _cell_angle_alpha 119.40794000 _cell_angle_beta 107.68747000 _cell_angle_gamma 89.97152000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 35.34653644 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.88337144 -0.01253937 -0.06422459 1 C C1 1 0.69344258 0.64316186 0.54808990 1 C C2 1 0.88375561 0.31824804 0.93622004 1 C C3 1 0.07853375 0.03151198 0.32403354 1 C C4 1 0.69374621 0.27459721 0.54827215 1 C C5 1 0.07865101 0.66282007 0.32457766 1

C-136247-3248-26

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.42598000 _cell_length_b 4.21658000 _cell_length_c 4.21834000 _cell_angle_alpha 89.81438000 _cell_angle_beta 90.09485000 _cell_angle_gamma 90.02212000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 43.15054012 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.11835710 0.85251298 0.04028423 1 C C1 1 1.11845508 0.26260183 0.63447763 1 C C2 1 0.61829350 0.76611122 0.54451852 1 C C3 1 0.61860782 0.82417919 0.19597045 1 C C4 1 0.11855651 0.91403223 0.69252010 1 C C5 1 0.61841519 0.41828915 0.60603087 1

C-76016-983-23

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48323000 _cell_length_b 5.01052000 _cell_length_c 4.05185000 _cell_angle_alpha 113.84982000 _cell_angle_beta 101.04279000 _cell_angle_gamma 85.59381000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 45.25552491 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.65287413 0.17231346 1.02348198 1 C C1 1 0.84135427 0.69688931 0.20675196 1 C C2 1 0.34146157 0.88861297 0.30232728 1 C C3 1 0.20614060 0.17242783 0.25442291 1 C C4 1 0.02317843 0.69666059 0.59591900 1 C C5 1 0.52337639 0.88825382 0.69153013 1 C C6 1 0.15214374 0.41290596 0.64353932 1 C C7 1 0.70552068 0.41309976 0.87472784 1

C-170888-2365-32

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.49384000 _cell_length_b 6.33553000 _cell_length_c 4.21185000 _cell_angle_alpha 49.57982000 _cell_angle_beta 106.80393000 _cell_angle_gamma 92.38066000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 47.51722070 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.26492476 0.37765370 -0.10238934 1 C C1 1 0.46680058 0.34972112 0.28721479 1 C C2 1 0.09679529 0.63260396 0.42676769 1 C C3 1 0.45547303 0.62873460 0.19055833 1 C C4 1 0.10210604 0.16327286 0.58257971 1 C C5 1 1.14259414 -0.11235612 0.36597416 1 C C6 1 0.21064563 0.88372132 0.71305188 1 C C7 1 0.21196503 0.13086785 0.97355498 1

C-141037-8469-46

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48146000 _cell_length_b 3.68878000 _cell_length_c 4.83759000 _cell_angle_alpha 111.45597000 _cell_angle_beta 104.85401000 _cell_angle_gamma 109.66537000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 34.98263957 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.54426967 0.58392061 -0.04551283 1 C C1 1 1.21388278 0.28760396 0.58967780 1 C C2 1 0.22925589 0.52670183 0.38291244 1 C C3 1 0.25358016 -0.12859349 0.08531528 1 C C4 1 0.50542073 1.00005146 0.45902031 1 C C5 1 0.52817407 0.34495373 0.16107770 1

C-157689-1881-41

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11693000 _cell_length_b 3.64860000 _cell_length_c 4.81011000 _cell_angle_alpha 112.15257000 _cell_angle_beta 80.92832000 _cell_angle_gamma 119.47547000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 44.08059748 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.11421540 0.13809637 0.99097078 1 C C1 1 1.11143792 0.98449638 0.68480813 1 C C2 1 0.11168754 0.57708035 0.49037524 1 C C3 1 0.11128873 -0.07596283 0.18466237 1 C C4 1 0.11436459 0.19855558 0.49111654 1 C C5 1 1.11396578 0.54551239 0.18540367 1

C-72730-1850-7

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.42797000 _cell_length_b 3.73386000 _cell_length_c 4.81223000 _cell_angle_alpha 96.60006000 _cell_angle_beta 103.00715000 _cell_angle_gamma 87.80120000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 42.22164306 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 -0.16679949 0.19748271 0.96848991 1 C C1 1 0.61225275 0.64270755 0.52475659 1 C C2 1 0.49986617 0.86411551 0.30181068 1 C C3 1 0.27892165 0.30940177 0.85810626 1 C C4 1 0.94559006 -0.02395254 0.19142323 1 C C5 1 0.16653887 0.53080319 0.63515903 1

C-41262-9862-31

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67304000 _cell_length_b 4.83440000 _cell_length_c 4.87821000 _cell_angle_alpha 112.53999000 _cell_angle_beta 98.61853000 _cell_angle_gamma 112.08562000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 69.62372542 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.18072049 0.31998879 0.01901675 1 C C1 1 0.83962607 1.00855925 0.36834599 1 C C2 1 1.14311238 0.34730364 0.52604264 1 C C3 1 0.62274136 0.85513097 0.52500986 1 C C4 1 0.31822407 0.51622492 0.36698641 1 C C5 1 0.10439814 0.78801861 0.94425118 1 C C6 1 0.28205759 0.54565798 0.87426150 1 C C7 1 0.73852007 0.81404976 0.01679910 1 C C8 1 0.72390126 0.05172457 0.87694868 1 C C9 1 0.35580527 0.07579562 0.94647670 1

C-76050-9799-65

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47199000 _cell_length_b 4.15251000 _cell_length_c 5.79723000 _cell_angle_alpha 69.34630000 _cell_angle_beta 64.87265000 _cell_angle_gamma 90.01300000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 49.61759872 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.22825086 0.64699967 0.65526818 1 C C1 1 0.67380098 0.43867165 0.71019758 1 C C2 1 0.17384708 0.43850681 0.20996870 1 C C3 1 0.84661767 0.19713386 0.53778559 1 C C4 1 0.72832608 0.64671159 1.15496727 1 C C5 1 0.79101223 0.98834501 0.09290385 1 C C6 1 0.29149592 0.98873015 0.59265382 1 C C7 1 0.34620018 0.19670605 0.03799280 1

C-130538-6665-48

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.44414000 _cell_length_b 6.06030000 _cell_length_c 7.21977000 _cell_angle_alpha 99.10146000 _cell_angle_beta 99.73600000 _cell_angle_gamma 66.12052000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C14 _cell_volume 95.89936901 _cell_formula_units_Z 14 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.33838512 0.85709877 0.16998172 1 C C1 1 0.14873352 0.29525297 0.67886855 1 C C2 1 0.84186816 0.24387039 0.95200616 1 C C3 1 0.69324913 0.78021114 0.73473345 1 C C4 1 0.43503675 0.20973416 0.06839786 1 C C5 1 -0.03115874 0.54546457 0.81685280 1 C C6 1 0.40773206 0.39792759 0.40098439 1 C C7 1 0.56140352 0.51159374 0.93307287 1 C C8 1 0.59259948 0.58927355 0.14611897 1 C C9 1 0.25394033 0.45779219 0.20638431 1 C C10 1 0.71074387 -0.02583692 0.15008633 1 C C11 1 0.06520767 0.89647250 0.71393771 1 C C12 1 -0.00699958 0.35415958 0.48418196 1 C C13 1 -0.18983778 0.16430416 0.73913391 1

C-47644-8979-61

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.42980000 _cell_length_b 5.36077000 _cell_length_c 7.45187000 _cell_angle_alpha 84.83628000 _cell_angle_beta 70.92882000 _cell_angle_gamma 89.92150000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 91.32464801 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.88363235 0.28110706 0.59084580 1 C C1 1 0.21093395 0.58034653 0.76333496 1 C C2 1 0.40753032 0.54700948 0.06233863 1 C C3 1 0.38761073 0.27556407 0.07776941 1 C C4 1 0.88007909 0.87889832 0.08972441 1 C C5 1 0.27751797 0.77280355 0.19460388 1 C C6 1 0.78051988 0.49499067 0.69424803 1 C C7 1 0.42441235 0.16617375 0.55063307 1 C C8 1 0.09085909 0.85802939 0.38665949 1 C C9 1 0.52548016 0.94807313 0.45244570 1 C C10 1 -0.10442600 0.15142874 0.06978590 1 C C11 1 0.01263641 0.65485341 0.95809762 1

C-41262-9862-12

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.49028000 _cell_length_b 3.59355000 _cell_length_c 4.35454000 _cell_angle_alpha 84.29282000 _cell_angle_beta 73.40105000 _cell_angle_gamma 69.70179000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 35.02552446 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.52085800 0.21190059 0.93295444 1 C C1 1 0.80703185 0.84248548 0.72730293 1 C C2 1 0.62495027 0.58331102 0.35107459 1 C C3 1 -0.00529257 0.84310728 0.35137413 1 C C4 1 0.91365790 0.21240454 0.14527793 1 C C5 1 0.43802485 0.58260800 0.72697958 1

C-130532-5775-40

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.51161000 _cell_length_b 4.11307000 _cell_length_c 4.19018000 _cell_angle_alpha 119.39622000 _cell_angle_beta 107.61574000 _cell_angle_gamma 89.99932000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 35.36490942 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.60501894 0.73126181 0.82055281 1 C C1 1 0.41216723 0.38684919 0.43234869 1 C C2 1 0.21863125 0.34318025 0.04438963 1 C C3 1 0.41230394 0.05682131 0.43266800 1 C C4 1 0.21877726 0.71259788 1.04460296 1 C C5 1 0.60502138 0.10043147 0.82064872 1

C-176689-6597-36

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63337000 _cell_length_b 3.27351000 _cell_length_c 3.27022000 _cell_angle_alpha 80.81783000 _cell_angle_beta 75.45314000 _cell_angle_gamma 75.45300000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 36.24798648 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.93258729 0.15582344 0.75352579 1 C C1 1 0.93272446 0.47247014 0.43617498 1 C C2 1 0.31410658 0.52771653 0.16843057 1 C C3 1 0.55120517 0.10057706 1.02127020 1 C C4 1 0.55109854 0.73898052 0.38209415 1 C C5 1 0.31421322 0.88931307 0.80760661 1

C-113078-2193-52

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45451000 _cell_length_b 4.38792000 _cell_length_c 5.17379000 _cell_angle_alpha 52.14461000 _cell_angle_beta 89.57146000 _cell_angle_gamma 90.36451000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 43.99108543 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.47821987 0.08686824 0.02109644 1 C C1 1 0.13420491 0.00971924 0.62852870 1 C C2 1 0.63069642 0.39509552 0.07849970 1 C C3 1 0.80647425 0.59245680 0.53168486 1 C C4 1 0.65735801 0.76119553 0.71313138 1 C C5 1 0.16172569 0.37582342 0.26345269 1 C C6 1 -0.01777937 0.17740432 0.81095523 1 C C7 1 0.31038512 0.68327433 0.32142789 1

C-152605-7685-1

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.43889000 _cell_length_b 4.22919000 _cell_length_c 6.52569000 _cell_angle_alpha 90.13684000 _cell_angle_beta 100.68330000 _cell_angle_gamma 90.00136000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 66.14254110 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.90222510 0.22504225 0.48741675 1 C C1 1 0.57455918 0.26720125 0.82278752 1 C C2 1 0.23713271 0.37911711 0.14612965 1 C C3 1 -0.10994271 0.87419979 0.47399507 1 C C4 1 0.35684713 0.37809938 0.39412979 1 C C5 1 1.02365681 0.26753779 0.71851834 1 C C6 1 0.38431740 0.71732841 0.46014381 1 C C7 1 0.70249086 0.87537851 1.06967905 1 C C8 1 0.20696560 0.71834289 0.08112104 1 C C9 1 0.69207801 0.22555293 1.05300398 1

C-142789-7601-3

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.50785000 _cell_length_b 3.41812000 _cell_length_c 9.62215000 _cell_angle_alpha 84.73247000 _cell_angle_beta 97.52798000 _cell_angle_gamma 68.46338000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 75.18201078 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 -0.03867874 0.33403379 0.34475501 1 C C1 1 0.98891218 0.54215000 0.60891333 1 C C2 1 0.65587142 0.54162692 0.94223582 1 C C3 1 0.52064746 0.66149588 0.78729889 1 C C4 1 0.32251608 0.54187437 0.27557418 1 C C5 1 0.54819177 0.86937115 0.05138234 1 C C6 1 1.29475697 0.33361917 0.01138890 1 C C7 1 -0.11880716 0.86995398 0.71808935 1 C C8 1 0.85410052 0.66147524 0.45395616 1 C C9 1 -0.37224407 0.33423364 0.67808463 1 C C10 1 0.18760851 0.66101292 0.12061614 1 C C11 1 0.21473089 0.86979183 0.38472195 1

C-177264-2024-14

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47126000 _cell_length_b 5.31271000 _cell_length_c 4.80980000 _cell_angle_alpha 111.27787000 _cell_angle_beta 120.76299000 _cell_angle_gamma 89.66479000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 49.27297022 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.01746276 0.92102745 0.83938254 1 C C1 1 0.58820944 0.54233068 0.90938731 1 C C2 1 1.08842092 0.04324393 0.41030329 1 C C3 1 0.86450534 0.47399737 0.18620200 1 C C4 1 0.43571089 0.09623186 0.25770985 1 C C5 1 0.51776826 0.42129097 0.33912821 1 C C6 1 0.93606584 0.59633990 0.75748528 1 C C7 1 0.36482445 0.97487633 0.68718923 1

C-9592-5537-24

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39360000 _cell_length_b 3.40154000 _cell_length_c 4.11528000 _cell_angle_alpha 78.54631000 _cell_angle_beta 101.45376000 _cell_angle_gamma 86.12945000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 45.34772403 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 -0.12342705 0.11810136 0.69483105 1 C C1 1 0.54945731 -0.07426961 0.14012894 1 C C2 1 0.13743113 0.33855025 0.48156147 1 C C3 1 0.90690034 0.56987060 0.14340713 1 C C4 1 0.68652824 0.30862785 0.93057186 1 C C5 1 0.35825140 0.59776245 0.69561494 1 C C6 1 0.49393858 0.98077987 0.48494394 1 C C7 1 0.16680686 0.79052083 0.92984247 1

C-104334-7299-44

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55084000 _cell_length_b 3.65341000 _cell_length_c 8.99029000 _cell_angle_alpha 74.89331000 _cell_angle_beta 71.89721000 _cell_angle_gamma 97.70929000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C18 _cell_volume 133.34229324 _cell_formula_units_Z 18 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.69715622 0.45883803 0.10662051 1 C C1 1 0.36400768 0.45861071 1.10730885 1 C C2 1 0.46576170 0.08916152 0.74856577 1 C C3 1 0.30547962 0.87594567 0.55320593 1 C C4 1 0.25197055 0.34458555 -0.01040111 1 C C5 1 0.13475778 0.56655750 0.22608524 1 C C6 1 0.25491871 0.66768747 0.34067213 1 C C7 1 0.58686636 0.79794469 0.47357166 1 C C8 1 0.57070043 0.66611871 0.34071077 1 C C9 1 0.81354625 0.86316053 0.53653321 1 C C10 1 0.94649243 0.08942864 0.74886934 1 C C11 1 0.48481859 0.23164164 0.87868044 1 C C12 1 0.74511629 1.00460949 0.67082489 1 C C13 1 0.10517327 0.79617683 0.47381355 1 C C14 1 0.92506527 0.34443707 -0.01018283 1 C C15 1 0.80108973 0.23037883 0.87859238 1 C C16 1 0.23756911 1.02029962 0.68672008 1 C C17 1 0.80756412 0.56647390 0.22629237 1

C-92124-4005-36

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48102000 _cell_length_b 3.69022000 _cell_length_c 4.84442000 _cell_angle_alpha 57.39669000 _cell_angle_beta 75.08440000 _cell_angle_gamma 70.28780000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 35.01402748 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.99287221 0.16938553 0.59180199 1 C C1 1 0.21640632 0.93006948 0.38508743 1 C C2 1 0.67365445 0.51359079 -0.11114006 1 C C3 1 0.79491836 0.64246743 0.51597110 1 C C4 1 0.25190759 0.22579397 1.01992680 1 C C5 1 0.47309007 -0.01320871 0.81347274 1

C-176661-8591-46

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48158000 _cell_length_b 3.68816000 _cell_length_c 4.21960000 _cell_angle_alpha 74.95060000 _cell_angle_beta 89.90189000 _cell_angle_gamma 70.34620000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 34.96643919 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.58046399 0.96052700 0.67035304 1 C C1 1 0.32167891 0.47363038 0.09910335 1 C C2 1 0.10105063 0.91909000 0.89251246 1 C C3 1 -0.21967324 0.56307086 0.59461386 1 C C4 1 0.90026049 0.31626849 -0.03118258 1 C C5 1 0.35871702 0.40631797 0.46404628 1

C-72701-1899-2

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.94928000 _cell_length_b 4.83750000 _cell_length_c 5.76354000 _cell_angle_alpha 66.20084000 _cell_angle_beta 100.36573000 _cell_angle_gamma 88.36475000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 73.54019299 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.57842633 0.51213477 0.40732071 1 C C1 1 0.57815889 1.02996390 0.40775161 1 C C2 1 0.09773855 0.75452786 0.92143511 1 C C3 1 1.09690548 0.27291573 0.92171017 1 C C4 1 0.69234028 0.71525011 0.51908603 1 C C5 1 0.34197569 0.24331578 0.16386971 1 C C6 1 0.95315292 0.58872613 0.77313667 1 C C7 1 0.34119977 0.54121078 0.16383642 1 C C8 1 0.72085129 0.19606392 0.55636265 1 C C9 1 0.98150579 1.06936413 0.81040263 1

C-176679-1286-38

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48762000 _cell_length_b 2.48761000 _cell_length_c 6.57671000 _cell_angle_alpha 67.74614000 _cell_angle_beta 79.08109000 _cell_angle_gamma 59.98402000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 32.61513352 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.46708030 0.10725876 0.67448971 1 C C1 1 0.13377176 0.85703362 0.59132662 1 C C2 1 0.80018282 0.10664325 0.00837469 1 C C3 1 0.46674999 0.85686302 -0.07520888 1 C C4 1 -0.19927706 0.85621419 0.25853033 1 C C5 1 1.13411407 0.10673965 0.34137762 1

C-102915-7408-31

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.43087000 _cell_length_b 4.07727000 _cell_length_c 6.79703000 _cell_angle_alpha 108.95263000 _cell_angle_beta 115.18719000 _cell_angle_gamma 86.84643000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 57.38427488 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.78863023 0.22551465 0.16954705 1 C C1 1 0.37096980 0.39307742 0.25201049 1 C C2 1 0.53869831 0.72548263 0.41959815 1 C C3 1 0.28863037 0.22552845 0.66955432 1 C C4 1 0.62082166 0.89318283 1.00191881 1 C C5 1 0.12097873 -0.10694214 0.50202528 1 C C6 1 0.87087893 0.39314297 0.75194982 1 C C7 1 0.03856247 0.72557199 0.91947359 1

C-76008-2415-39

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.46312000 _cell_length_b 4.98771000 _cell_length_c 6.69667000 _cell_angle_alpha 63.38295000 _cell_angle_beta 100.60575000 _cell_angle_gamma 90.01410000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 71.97822352 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.02824500 0.49754651 1.05410030 1 C C1 1 0.79252910 0.33325730 0.58996074 1 C C2 1 0.54325481 0.30605213 1.08618810 1 C C3 1 0.11549445 0.62722283 0.22857425 1 C C4 1 0.90574759 0.77411958 0.81255089 1 C C5 1 0.34260108 0.80047129 0.68534324 1 C C6 1 0.47684661 0.10383101 -0.04233451 1 C C7 1 0.91153350 0.10817505 0.82723777 1 C C8 1 0.65878325 1.00691573 0.32115281 1 C C9 1 0.59423718 0.81911947 0.18627376 1 C C10 1 0.23541546 0.40850730 0.47623295 1 C C11 1 0.22603676 0.95067618 0.45649700 1

C-90796-891-29

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67808000 _cell_length_b 3.78465000 _cell_length_c 4.29654000 _cell_angle_alpha 89.15994000 _cell_angle_beta 124.47009000 _cell_angle_gamma 107.39485000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 58.67952891 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.81820730 0.42412962 0.82661591 1 C C1 1 0.31271126 0.39857520 0.79747989 1 C C2 1 0.63010809 0.95415530 0.35163111 1 C C3 1 0.31314477 -0.04831183 0.34532746 1 C C4 1 0.62931336 0.70845501 0.10950123 1 C C5 1 -0.05338127 0.26432790 0.66344398 1 C C6 1 0.44112171 0.23928728 0.63400049 1 C C7 1 0.94628498 0.71123422 0.11563493 1

C-96663-8819-13

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.43911000 _cell_length_b 4.22873000 _cell_length_c 6.52398000 _cell_angle_alpha 89.76256000 _cell_angle_beta 79.23673000 _cell_angle_gamma 90.00714000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 66.10610632 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.55893839 0.81465623 0.42468030 1 C C1 1 0.37001429 0.81412757 0.83026440 1 C C2 1 0.05356641 0.65726197 0.43759507 1 C C3 1 0.69246088 1.20914817 0.18001211 1 C C4 1 0.87461232 0.65669943 0.81855549 1 C C5 1 0.02577512 0.31815265 0.50462884 1 C C6 1 1.24358957 0.20827779 0.07624658 1 C C7 1 1.36018365 0.16449387 0.84585087 1 C C8 1 0.57137050 0.16553264 0.41127040 1 C C9 1 0.90573767 0.31810697 0.75240374 1

C-96672-9795-27

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48312000 _cell_length_b 3.63064000 _cell_length_c 7.32306000 _cell_angle_alpha 119.73560000 _cell_angle_beta 90.00217000 _cell_angle_gamma 89.99920000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 57.32644926 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 1.31601881 0.22227665 0.42734609 1 C C1 1 0.31620638 -0.08769405 0.85644225 1 C C2 1 0.81643169 0.23147119 0.67565623 1 C C3 1 0.81656819 0.53996403 0.24555852 1 C C4 1 0.81628508 0.15118624 0.85638086 1 C C5 1 0.31644080 -0.14903743 0.05100106 1 C C6 1 0.81652961 0.60106090 0.05076808 1 C C7 1 0.31648281 0.30074839 0.24562904 1 C C8 1 0.31636388 0.47116909 0.67547509 1 C C9 1 0.81600444 0.98219329 0.42720908 1

C-9620-6892-54

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97913000 _cell_length_b 4.30411000 _cell_length_c 4.84998000 _cell_angle_alpha 84.72388000 _cell_angle_beta 82.11366000 _cell_angle_gamma 67.72619000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 56.95009472 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 -0.03346921 0.89106805 0.18119230 1 C C1 1 -0.03351914 0.89111166 0.68119429 1 C C2 1 0.80087814 1.05843123 0.93084283 1 C C3 1 0.30034783 0.55834022 0.18089994 1 C C4 1 0.80092151 0.05842970 0.43084662 1 C C5 1 0.46658944 0.39114941 0.43117503 1 C C6 1 0.46651463 0.39113067 -0.06882509 1 C C7 1 0.30036509 0.55833126 0.68089287 1

C-176685-9184-37

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64211000 _cell_length_b 3.42975000 _cell_length_c 4.83023000 _cell_angle_alpha 122.66702000 _cell_angle_beta 67.64276000 _cell_angle_gamma 119.87714000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 43.52543017 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.84921735 0.78794674 0.41328311 1 C C1 1 0.06388854 0.79101878 0.60444975 1 C C2 1 0.12022403 0.78955785 0.10635909 1 C C3 1 0.46515835 0.78829436 0.41428018 1 C C4 1 0.90539763 0.78646740 0.91533298 1 C C5 1 0.50391530 -0.21145083 0.10532448 1

C-73631-2702-49

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08656000 _cell_length_b 3.99484000 _cell_length_c 5.58715000 _cell_angle_alpha 82.23913000 _cell_angle_beta 119.85025000 _cell_angle_gamma 108.51357000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 56.63704826 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.21826036 0.81225444 0.05080529 1 C C1 1 0.55353832 0.14317803 0.05047994 1 C C2 1 0.71599869 0.81263833 0.55039130 1 C C3 1 0.30252110 0.64329926 0.30044653 1 C C4 1 0.05108856 0.14356170 0.55010658 1 C C5 1 0.96755443 0.31247957 0.30070866 1 C C6 1 0.46750481 0.31228959 0.80028820 1 C C7 1 0.80297264 0.64316457 0.80017580 1

C-96682-5217-47

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66152000 _cell_length_b 4.20260000 _cell_length_c 4.19798000 _cell_angle_alpha 119.97028000 _cell_angle_beta 128.05131000 _cell_angle_gamma 77.81593000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 43.62007579 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.87642591 0.94850359 0.37901821 1 C C1 1 0.87650932 0.94860529 0.71226102 1 C C2 1 0.87649919 0.61520394 0.71241442 1 C C3 1 0.87655529 0.61524347 1.04566373 1 C C4 1 0.87657645 0.28185780 0.04578496 1 C C5 1 -0.12343617 0.28190731 0.37902096 1

C-53820-5674-34

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48481000 _cell_length_b 4.17460000 _cell_length_c 6.17730000 _cell_angle_alpha 90.00153000 _cell_angle_beta 113.90048000 _cell_angle_gamma 90.02744000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 58.58304229 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.36760491 0.42038617 0.00421938 1 C C1 1 0.99887373 0.92489925 0.13433945 1 C C2 1 0.87510880 0.54996554 0.50739682 1 C C3 1 -0.00117348 0.55175180 0.13448336 1 C C4 1 0.13478508 0.90062238 0.77167262 1 C C5 1 0.25376762 0.42152924 0.38703553 1 C C6 1 0.25402147 1.05469130 0.38709069 1 C C7 1 0.36744519 1.05598958 1.00398586 1 C C8 1 0.87533459 0.92536438 0.50750288 1 C C9 1 0.13441899 0.57372355 0.77159231 1

C-157717-1262-39

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45217000 _cell_length_b 3.33250000 _cell_length_c 9.40976000 _cell_angle_alpha 84.21950000 _cell_angle_beta 90.02416000 _cell_angle_gamma 68.20707000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 70.97703715 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.69993234 0.39822751 0.51914710 1 C C1 1 0.26962565 0.25804683 0.15136095 1 C C2 1 0.18997613 0.41916403 0.59058301 1 C C3 1 0.71936631 0.35261274 0.37043618 1 C C4 1 0.38258021 1.02920019 0.85795303 1 C C5 1 0.17878823 0.44299674 0.74364729 1 C C6 1 0.23453631 0.32235426 0.29881695 1 C C7 1 0.78837047 0.22077837 0.08083238 1 C C8 1 0.60092242 0.59697786 0.81400217 1 C C9 1 0.80435744 0.18425607 0.92830814 1

C-176654-3153-49

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.44808000 _cell_length_b 5.85555000 _cell_length_c 5.58182000 _cell_angle_alpha 59.76776000 _cell_angle_beta 77.30729000 _cell_angle_gamma 65.25587000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 62.78054799 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 -0.16492569 0.67288595 0.40396470 1 C C1 1 0.99244764 0.23897247 0.95732259 1 C C2 1 0.27923904 -0.05092921 0.96335238 1 C C3 1 0.88762095 0.90988130 0.82456273 1 C C4 1 0.80153324 0.55447531 0.70769680 1 C C5 1 0.33195732 1.18655079 0.38364084 1 C C6 1 -0.16276940 0.11259339 0.52322131 1 C C7 1 1.17450632 0.62033656 0.82995958 1 C C8 1 0.36560783 0.30446362 0.08011516 1 C C9 1 0.32961754 0.74665332 0.26471171 1

C-9646-232-63

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48462000 _cell_length_b 4.67780000 _cell_length_c 4.08675000 _cell_angle_alpha 96.68474000 _cell_angle_beta 89.99540000 _cell_angle_gamma 105.44199000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 45.44884141 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.95462696 0.31320961 0.17978933 1 C C1 1 0.89581376 1.19685370 0.82426397 1 C C2 1 0.72443822 0.85602522 0.89253576 1 C C3 1 0.11351364 0.62768258 0.36149619 1 C C4 1 0.38194913 0.16900744 0.29862719 1 C C5 1 0.44016504 0.28321786 0.65454386 1 C C6 1 0.61224341 0.62491724 0.58620233 1 C C7 1 0.22371475 0.85445124 0.11907298 1

C-152587-3980-5

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27774000 _cell_length_b 3.27937000 _cell_length_c 5.56821000 _cell_angle_alpha 89.67002000 _cell_angle_beta 89.66048000 _cell_angle_gamma 81.14487000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 59.13711060 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.93800840 0.75941582 0.68796444 1 C C1 1 0.90931639 0.72894424 0.21946963 1 C C2 1 0.66445872 0.48615636 0.83076775 1 C C3 1 0.29790836 0.39882771 0.68770205 1 C C4 1 0.44764700 1.22197514 0.45406986 1 C C5 1 0.18034814 0.00297649 0.07709044 1 C C6 1 0.02626404 0.12584504 0.83082615 1 C C7 1 0.27118054 0.36846050 0.21941047 1 C C8 1 0.76436451 -0.09419608 0.45407461 1 C C9 1 0.54148449 0.64255767 0.07671688 1

C-177280-5724-23

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45885000 _cell_length_b 5.77600000 _cell_length_c 7.55007000 _cell_angle_alpha 60.07500000 _cell_angle_beta 81.91673000 _cell_angle_gamma 87.22127000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C16 _cell_volume 91.98005120 _cell_formula_units_Z 16 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.44593431 -0.06552987 0.62838081 1 C C1 1 0.51669965 0.36873193 0.44617516 1 C C2 1 0.54323841 0.15769989 0.39283401 1 C C3 1 0.96768910 0.33046886 0.57156947 1 C C4 1 0.58268692 0.64148874 0.27881649 1 C C5 1 0.09432735 0.20876244 0.26139802 1 C C6 1 0.21769733 0.50038475 0.06541702 1 C C7 1 0.60029778 0.13218188 1.01008179 1 C C8 1 0.97883563 0.60353715 0.56822326 1 C C9 1 0.42645954 0.43559895 0.89669660 1 C C10 1 0.69604330 0.65827879 0.07320797 1 C C11 1 0.07918236 0.04973163 0.15944855 1 C C12 1 0.45110910 0.64366400 0.67052503 1 C C13 1 0.90108029 1.02292128 0.70874032 1 C C14 1 0.73155361 -0.05258326 0.92293674 1 C C15 1 1.05017684 0.75963124 0.31764407 1

C-90811-1769-2

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30757000 _cell_length_b 4.27802000 _cell_length_c 7.10948000 _cell_angle_alpha 54.14623000 _cell_angle_beta 61.20890000 _cell_angle_gamma 73.85797000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 71.45564493 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.76836260 0.32650931 0.52105961 1 C C1 1 0.69427666 0.32817608 0.96301022 1 C C2 1 0.39364501 0.65748760 0.50406494 1 C C3 1 0.21226527 0.52421657 0.39712409 1 C C4 1 0.35003242 0.64869281 0.88389397 1 C C5 1 0.71384918 0.06513526 0.25053723 1 C C6 1 0.63871244 0.99057134 -0.03136608 1 C C7 1 0.68278040 0.34205455 0.31954986 1 C C8 1 0.96152582 0.69398905 0.08517071 1 C C9 1 0.14968907 0.85317081 0.16713376 1 C C10 1 0.71012379 -0.04716476 0.75457819 1 C C11 1 0.10341006 0.64753468 0.75056548 1

C-13893-8599-30

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62367000 _cell_length_b 2.83337000 _cell_length_c 4.81797000 _cell_angle_alpha 84.90278000 _cell_angle_beta 112.08675000 _cell_angle_gamma 97.55562000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 45.39714243 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.70616898 0.16271035 0.39466336 1 C C1 1 0.32514674 0.16218454 0.39470465 1 C C2 1 0.76537134 1.16218870 0.89438885 1 C C3 1 0.36032797 0.16254647 0.70300539 1 C C4 1 0.97897948 0.16166016 0.70290230 1 C C5 1 0.92007899 0.16231678 0.20338975 1

C-150699-6622-10

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45637000 _cell_length_b 7.11258000 _cell_length_c 7.73614000 _cell_angle_alpha 65.77301000 _cell_angle_beta 99.27453000 _cell_angle_gamma 83.55453000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C20 _cell_volume 119.23043491 _cell_formula_units_Z 20 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.48984471 0.87320682 0.17912403 1 C C1 1 0.55882100 0.07263489 0.77523825 1 C C2 1 0.82287151 0.52410716 0.75593073 1 C C3 1 0.12073010 0.75075423 0.48964153 1 C C4 1 0.12563501 0.54038548 0.28400342 1 C C5 1 -0.18700716 0.42013774 0.61135209 1 C C6 1 -0.02338188 0.18035763 0.70370825 1 C C7 1 0.44758535 0.49597892 0.03229380 1 C C8 1 0.94682902 0.19428423 0.04268702 1 C C9 1 0.92779650 0.41537869 -0.02673281 1 C C10 1 0.29686767 0.72965486 0.87812922 1 C C11 1 0.82315121 0.19914490 0.35637287 1 C C12 1 0.98373590 0.77550955 0.13816195 1 C C13 1 0.25400370 0.66397489 0.70770074 1 C C14 1 0.52689300 0.86971291 0.38869915 1 C C15 1 0.63990524 0.43838230 0.24819064 1 C C16 1 0.77677902 0.83406036 0.90932699 1 C C17 1 0.47113314 0.09541526 0.05755662 1 C C18 1 0.37766227 0.09423172 0.36929901 1 C C19 1 0.21210718 0.52618596 0.48945979 1

C-34643-7107-42

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48756000 _cell_length_b 4.76294000 _cell_length_c 5.31212000 _cell_angle_alpha 63.09856000 _cell_angle_beta 62.09592000 _cell_angle_gamma 58.48080000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 45.57538367 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.86032976 -0.10136013 0.59929310 1 C C1 1 0.51629821 0.44015494 0.90205340 1 C C2 1 0.74711252 0.24708958 0.36388090 1 C C3 1 1.10325591 0.23886087 1.01654210 1 C C4 1 0.01696657 0.47239344 0.36887149 1 C C5 1 0.09237056 0.70510349 0.06097827 1 C C6 1 0.50547192 0.90624578 0.94663655 1 C C7 1 0.59070555 0.67357934 0.59410679 1

C-157691-3994-32

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45424000 _cell_length_b 4.47124000 _cell_length_c 7.05104000 _cell_angle_alpha 87.39195000 _cell_angle_beta 80.93604000 _cell_angle_gamma 75.78664000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 74.06750542 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.98337186 0.30948339 0.86559936 1 C C1 1 0.54520565 0.28910700 0.74916087 1 C C2 1 0.78826528 0.63897064 0.93636024 1 C C3 1 0.02985796 0.57714793 0.51222940 1 C C4 1 0.55121638 0.45463759 0.58289186 1 C C5 1 0.20983682 0.77643265 0.96872984 1 C C6 1 0.44709577 0.95662542 0.32636070 1 C C7 1 0.96699805 0.83586494 0.39872921 1 C C8 1 1.01320774 0.10413621 0.04341055 1 C C9 1 0.45309878 0.12129833 0.15968408 1

C-80191-3962-6

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44032000 _cell_length_b 4.83720000 _cell_length_c 4.25193000 _cell_angle_alpha 90.05547000 _cell_angle_beta 90.06837000 _cell_angle_gamma 134.86614000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 50.15041622 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.99646392 0.80029302 0.61522201 1 C C1 1 0.68414113 0.86684694 0.78293426 1 C C2 1 -0.16633952 0.95413058 0.11867380 1 C C3 1 0.83320334 0.20450250 0.28000536 1 C C4 1 0.84931633 0.46181516 0.11846688 1 C C5 1 0.68382356 0.14378619 0.61510296 1 C C6 1 0.84873615 0.71214668 0.27952403 1 C C7 1 -0.00258241 0.52348963 0.78307628 1

C-189709-289-43

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.44094000 _cell_length_b 2.54908000 _cell_length_c 7.71005000 _cell_angle_alpha 118.02238000 _cell_angle_beta 73.25978000 _cell_angle_gamma 87.14599000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 39.56994625 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.46895612 0.48696892 0.43582247 1 C C1 1 0.64291336 0.98901340 0.76531276 1 C C2 1 0.03760815 0.15316610 0.87332408 1 C C3 1 0.69995354 0.14577241 0.20646152 1 C C4 1 0.86380891 0.65141468 0.54371293 1 C C5 1 0.80615201 0.49403829 0.10283453 1

C-170898-6159-52

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09071000 _cell_length_b 4.85615000 _cell_length_c 4.74049000 _cell_angle_alpha 105.47607000 _cell_angle_beta 106.75225000 _cell_angle_gamma 112.10975000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 57.19312283 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 -0.14185240 0.04670105 0.53428915 1 C C1 1 0.35957016 0.04693683 0.03419769 1 C C2 1 0.85815848 0.54671177 0.53427968 1 C C3 1 0.69061045 0.71303501 0.36821486 1 C C4 1 0.69057748 0.21303335 0.36821016 1 C C5 1 0.18871065 0.21270336 0.86837308 1 C C6 1 1.18872852 0.71271656 0.86836610 1 C C7 1 0.35960426 0.54694098 0.03420238 1

C-57133-9728-38

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.43888000 _cell_length_b 4.83125000 _cell_length_c 8.76224000 _cell_angle_alpha 85.06958000 _cell_angle_beta 82.04823000 _cell_angle_gamma 59.65622000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 88.22834631 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 -0.25526279 1.14083367 0.82157704 1 C C1 1 0.75641407 0.40307734 0.26912118 1 C C2 1 0.11866163 0.05596869 0.23827161 1 C C3 1 0.22197347 0.03871064 0.06666345 1 C C4 1 1.07276512 0.32798992 0.79054418 1 C C5 1 0.74099113 0.05834882 0.99054746 1 C C6 1 1.09620163 0.55779118 0.27968758 1 C C7 1 0.62892658 0.92716656 0.48035303 1 C C8 1 1.11013948 0.90868741 0.55669055 1 C C9 1 0.78013649 0.63929734 0.75731706 1 C C10 1 0.10901837 0.82650582 0.72577065 1 C C11 1 0.73398714 -0.09431789 0.30856331 1

C-73671-1897-10

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45636000 _cell_length_b 3.66196000 _cell_length_c 6.47468000 _cell_angle_alpha 73.11503000 _cell_angle_beta 79.03665000 _cell_angle_gamma 70.43840000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 52.23332657 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.83461924 0.90577635 -0.01474468 1 C C1 1 0.61032692 0.30400847 0.03630871 1 C C2 1 0.45806390 0.74518368 0.89826572 1 C C3 1 0.82677267 0.67303214 0.23278233 1 C C4 1 0.10481838 0.79470358 0.55585256 1 C C5 1 0.55508205 0.78609240 0.66205366 1 C C6 1 0.20354942 0.83344043 0.31984141 1 C C7 1 1.05198592 0.27408835 0.18167719 1

C-172967-546-37

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47969000 _cell_length_b 3.68914000 _cell_length_c 4.89598000 _cell_angle_alpha 92.80397000 _cell_angle_beta 120.46398000 _cell_angle_gamma 109.61830000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 35.01432297 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.73662602 0.32251552 0.85632738 1 C C1 1 0.99471830 0.28474789 0.63430001 1 C C2 1 0.56641809 0.83957274 0.42800438 1 C C3 1 0.11967465 0.68287291 0.55928178 1 C C4 1 0.16536285 0.76751166 0.06281027 1 C C5 1 0.61287749 0.92472978 0.93183518 1

C-13919-5282-28

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.49377000 _cell_length_b 5.58591000 _cell_length_c 5.58147000 _cell_angle_alpha 60.34651000 _cell_angle_beta 63.49445000 _cell_angle_gamma 63.50848000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 57.87307638 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.88681050 0.01223200 0.05510903 1 C C1 1 0.25452553 0.68570143 0.51415150 1 C C2 1 0.25651791 0.82798459 0.86977831 1 C C3 1 0.40194766 0.36808138 0.68369905 1 C C4 1 0.25760755 0.55520975 0.14169892 1 C C5 1 0.25402323 0.19900709 0.00139303 1 C C6 1 0.74026515 0.19961667 0.51419256 1 C C7 1 -0.11078643 0.88166148 0.68296628 1 C C8 1 0.88770985 0.73941047 0.32705189 1 C C9 1 0.88940615 0.36817614 0.19655083 1

C-136210-9760-32

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07389000 _cell_length_b 2.43105000 _cell_length_c 6.40838000 _cell_angle_alpha 79.30188000 _cell_angle_beta 80.45686000 _cell_angle_gamma 108.55747000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 43.29010291 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 1.16863927 0.66547679 0.50223671 1 C C1 1 0.16939561 0.44263645 0.94701713 1 C C2 1 0.16933850 -0.22345101 0.28023265 1 C C3 1 0.16744297 0.33179648 0.16922808 1 C C4 1 0.17101144 0.11038980 0.61308802 1 C C5 1 0.16923160 0.99899359 0.83522682 1

C-176683-1873-9

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48734000 _cell_length_b 3.51754000 _cell_length_c 4.30524000 _cell_angle_alpha 114.10426000 _cell_angle_beta 106.79830000 _cell_angle_gamma 89.98361000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 32.61604775 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 1.07671540 0.82020307 0.19332701 1 C C1 1 0.74338207 0.48686973 0.52666035 1 C C2 1 0.57658090 0.07051093 0.19337829 1 C C3 1 0.41004873 0.15353640 0.85999368 1 C C4 1 0.24324757 0.73717760 0.52671162 1 C C5 1 0.90991423 0.40384427 0.86004495 1

C-152601-7805-20

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45505000 _cell_length_b 2.53411000 _cell_length_c 6.38348000 _cell_angle_alpha 97.05970000 _cell_angle_beta 90.78107000 _cell_angle_gamma 88.28707000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 39.39328686 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.36446561 1.03409683 0.12760147 1 C C1 1 0.36570936 -0.06234221 0.89620103 1 C C2 1 0.36863213 0.40657291 0.79251216 1 C C3 1 0.36933715 0.30577967 0.56120362 1 C C4 1 -0.13234791 0.23821182 0.45477946 1 C C5 1 0.86615846 0.09951657 0.23399126 1

C-80195-4794-23

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47344000 _cell_length_b 4.11774000 _cell_length_c 4.28084000 _cell_angle_alpha 90.01627000 _cell_angle_beta 90.02133000 _cell_angle_gamma 90.05664000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 43.60025579 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.78861970 0.64153700 0.11680318 1 C C1 1 0.78869486 0.14153262 0.78348895 1 C C2 1 -0.21149572 1.01652950 0.11678109 1 C C3 1 0.78857943 0.51652512 -0.21653314 1 C C4 1 0.28861970 0.64153700 0.61680318 1 C C5 1 0.28857943 0.51652512 0.28346686 1 C C6 1 0.28850428 0.01652950 0.61678109 1 C C7 1 0.28869486 0.14153262 0.28348895 1

C-72716-3406-31

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48133000 _cell_length_b 3.68850000 _cell_length_c 4.21732000 _cell_angle_alpha 104.90405000 _cell_angle_beta 89.96525000 _cell_angle_gamma 109.64933000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 34.97120631 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.71839105 0.57530885 0.24427637 1 C C1 1 0.04033326 0.21724068 0.54209921 1 C C2 1 -0.08174741 0.97271668 0.16857136 1 C C3 1 0.46210214 1.06091403 0.67309726 1 C C4 1 0.49669169 1.12996781 1.03796824 1 C C5 1 0.23808028 0.61511536 0.46669847 1

C-102875-8418-52

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.43219000 _cell_length_b 4.22553000 _cell_length_c 4.81571000 _cell_angle_alpha 97.71599000 _cell_angle_beta 75.39092000 _cell_angle_gamma 106.68976000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 45.77263880 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.79895491 0.90900698 0.10714926 1 C C1 1 0.19566270 0.44686533 0.85440808 1 C C2 1 -0.21671748 0.13591805 0.36641238 1 C C3 1 1.02644020 0.08220275 0.82565352 1 C C4 1 0.56321141 -0.02499490 0.64259363 1 C C5 1 0.17914129 0.67362103 0.11356668 1 C C6 1 0.41264021 0.60781808 0.57880490 1 C C7 1 0.95147807 0.50071379 0.39525774 1

C-13911-8164-43

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48163000 _cell_length_b 3.68952000 _cell_length_c 4.84298000 _cell_angle_alpha 122.57435000 _cell_angle_beta 75.10760000 _cell_angle_gamma 109.67241000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 35.02534144 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.17749822 0.67768236 -0.06795249 1 C C1 1 -0.14391188 0.33321121 0.22918960 1 C C2 1 1.05264069 0.80647574 0.30512172 1 C C3 1 0.59927702 0.38999606 0.80106604 1 C C4 1 0.63101425 1.09394375 0.43592612 1 C C5 1 0.37559120 0.15067849 0.00764902 1

C-13691-2934-46

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.52723000 _cell_length_b 4.29869000 _cell_length_c 5.39860000 _cell_angle_alpha 121.08768000 _cell_angle_beta 110.98258000 _cell_angle_gamma 84.94964000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 46.54999207 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.06629176 0.37610945 0.67589523 1 C C1 1 -0.09513825 -0.02693810 0.54591501 1 C C2 1 0.30347112 1.17034497 0.19773779 1 C C3 1 0.44515049 0.50539277 -0.00239739 1 C C4 1 0.52603544 0.84394527 0.22411438 1 C C5 1 0.48064794 0.47236745 0.55637675 1 C C6 1 0.66737194 0.17894904 0.02424067 1 C C7 1 0.49046627 0.87695155 0.66551246 1

C-136247-3248-43

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47711000 _cell_length_b 2.47756000 _cell_length_c 6.77864000 _cell_angle_alpha 89.98554000 _cell_angle_beta 111.41276000 _cell_angle_gamma 120.04054000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 32.65655271 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 1.10503111 0.64708921 0.65096997 1 C C1 1 0.66318179 -0.07151263 0.06928712 1 C C2 1 0.55039874 0.36998515 0.73504999 1 C C3 1 -0.00850320 0.09225826 0.31661827 1 C C4 1 0.88504080 0.53883155 0.98579457 1 C C5 1 0.76988977 0.48076146 0.40016058 1

C-176685-9184-46

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70520000 _cell_length_b 4.31972000 _cell_length_c 4.81317000 _cell_angle_alpha 109.30314000 _cell_angle_beta 88.80719000 _cell_angle_gamma 122.94162000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 43.64270082 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.64423080 0.63511942 0.10946404 1 C C1 1 1.04986016 1.03985626 0.30183485 1 C C2 1 0.20476469 0.19464326 0.61078497 1 C C3 1 0.61024177 0.59928907 0.80314449 1 C C4 1 -0.00708094 -0.01811506 0.80300513 1 C C5 1 0.26173642 0.25257335 0.10969472 1

C-28264-8801-10

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39822000 _cell_length_b 4.26598000 _cell_length_c 5.94355000 _cell_angle_alpha 108.59142000 _cell_angle_beta 112.23788000 _cell_angle_gamma 120.87945000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 67.63766818 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.21817318 0.71954400 0.29982383 1 C C1 1 0.56576114 0.40701066 0.30579610 1 C C2 1 0.38584812 0.15382039 0.80692607 1 C C3 1 0.52600509 0.01461425 0.25314848 1 C C4 1 -0.21457767 -0.03263750 0.20570673 1 C C5 1 0.50376820 0.99197477 0.64827995 1 C C6 1 -0.07464038 0.82813609 0.65188919 1 C C7 1 0.80739498 -0.01009930 0.81051749 1 C C8 1 0.74574187 0.57508347 0.15307158 1 C C9 1 1.09312817 0.26240456 0.15899388 1

C-189748-4840-35

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.82869000 _cell_length_b 3.62617000 _cell_length_c 4.81526000 _cell_angle_alpha 67.88668000 _cell_angle_beta 87.91960000 _cell_angle_gamma 95.63861000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 45.39291949 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.20007791 -0.13296083 0.83803007 1 C C1 1 0.20254894 0.52222581 0.52906017 1 C C2 1 0.20039561 0.08141095 1.02883391 1 C C3 1 0.19930463 0.48582862 0.83797882 1 C C4 1 1.20158492 0.14084123 0.52921891 1 C C5 1 0.20120509 0.92660732 0.33833642 1

C-172971-7940-1

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99226000 _cell_length_b 4.21033000 _cell_length_c 4.20638000 _cell_angle_alpha 119.96836000 _cell_angle_beta 80.80990000 _cell_angle_gamma 113.55317000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 42.03068651 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.26663791 0.75244640 0.34580672 1 C C1 1 0.26663012 0.41917093 0.67912143 1 C C2 1 1.25854148 0.08306489 0.34577138 1 C C3 1 0.26663037 0.08582813 0.01247528 1 C C4 1 0.25853998 0.74974011 0.67912355 1 C C5 1 0.25852893 0.41639984 0.01241454 1

C-157715-9420-2

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45251000 _cell_length_b 5.76904000 _cell_length_c 4.11436000 _cell_angle_alpha 51.52309000 _cell_angle_beta 90.05447000 _cell_angle_gamma 101.93249000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 43.96348702 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.10437904 0.80048696 0.14159136 1 C C1 1 0.63357542 0.86110119 0.27262086 1 C C2 1 0.37141162 0.34109523 -0.03267893 1 C C3 1 1.06871934 0.73727057 0.88525132 1 C C4 1 0.53859320 0.67540187 0.75570632 1 C C5 1 0.79987538 0.19518127 0.06237377 1

C-40100-7984-28

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47770000 _cell_length_b 2.47796000 _cell_length_c 6.31085000 _cell_angle_alpha 89.99148000 _cell_angle_beta 101.32183000 _cell_angle_gamma 120.02739000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 32.67293577 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.29927032 0.65274960 0.35760167 1 C C1 1 0.40751549 0.20600213 0.02216114 1 C C2 1 0.24377296 0.12450564 0.77119713 1 C C3 1 0.85581860 0.43082761 0.68817847 1 C C4 1 0.68966254 0.34809034 0.44111009 1 C C5 1 1.12987568 0.56725329 0.10646121 1

C-126136-4977-23

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48272000 _cell_length_b 3.78278000 _cell_length_c 7.99338000 _cell_angle_alpha 109.52079000 _cell_angle_beta 108.07398000 _cell_angle_gamma 89.93674000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 66.82203752 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.80580691 0.71576187 0.33224417 1 C C1 1 0.28503654 0.41403257 0.80974066 1 C C2 1 0.04313071 0.82415974 0.06770411 1 C C3 1 1.13526574 0.53325967 0.66225122 1 C C4 1 0.55711782 0.60463562 0.58436699 1 C C5 1 0.66698317 -0.08400300 0.19165988 1 C C6 1 -0.34456006 0.32003046 0.18056946 1 C C7 1 0.41185169 0.72855992 0.43843217 1 C C8 1 0.89089834 0.42814989 0.91598457 1 C C9 1 0.03286444 0.22828634 0.05676158 1

C-40134-7379-39

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48175000 _cell_length_b 4.84618000 _cell_length_c 3.69051000 _cell_angle_alpha 57.31910000 _cell_angle_beta 70.34600000 _cell_angle_gamma 75.21913000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 35.03096907 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.16884963 0.94778897 0.43678598 1 C C1 1 0.42882842 0.37629995 0.49187041 1 C C2 1 0.38973136 0.74146723 0.19819101 1 C C3 1 0.96819620 0.87267148 0.91022826 1 C C4 1 0.64971016 0.16997820 0.25327544 1 C C5 1 0.85036359 0.24509570 0.77983316 1

C-56495-4082-46

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.50862000 _cell_length_b 4.28939000 _cell_length_c 5.06301000 _cell_angle_alpha 79.65819000 _cell_angle_beta 111.01867000 _cell_angle_gamma 115.18573000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 45.99736584 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.20091308 0.75407751 0.90264845 1 C C1 1 -0.19407277 0.79755964 0.39969864 1 C C2 1 0.65353404 0.42808758 0.42797647 1 C C3 1 1.21269743 0.32736421 0.61444731 1 C C4 1 0.06035331 0.95814200 0.64355369 1 C C5 1 0.66534848 0.00115473 0.14009741 1 C C6 1 0.36604071 0.24198895 0.14445951 1 C C7 1 0.50006662 0.51323708 -0.10208768 1

C-145340-6787-32

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47451000 _cell_length_b 4.28168000 _cell_length_c 4.80552000 _cell_angle_alpha 116.48150000 _cell_angle_beta 104.91835000 _cell_angle_gamma 90.01009000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 43.64582062 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.12516896 -0.01476460 0.93545824 1 C C1 1 0.68857219 0.88171938 0.06158202 1 C C2 1 0.43867611 0.29833955 0.56159414 1 C C3 1 0.62518393 0.48524787 0.93546826 1 C C4 1 0.37506504 0.56861524 0.43544613 1 C C5 1 0.93862594 0.79832006 0.56157236 1 C C6 1 0.18855722 0.38170692 0.06157200 1 C C7 1 0.87511521 0.06863473 0.43546790 1

C-107717-3127-38

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.42760000 _cell_length_b 4.79968000 _cell_length_c 6.38069000 _cell_angle_alpha 77.77364000 _cell_angle_beta 92.87337000 _cell_angle_gamma 55.08525000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 58.20358092 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.87277107 0.33861537 0.61777021 1 C C1 1 0.45796956 0.25355819 0.53548947 1 C C2 1 0.95696844 0.75438553 0.03507524 1 C C3 1 0.20774796 1.00376559 0.28537919 1 C C4 1 -0.29269388 0.50410677 0.78522255 1 C C5 1 0.12197634 0.58927068 0.86744761 1 C C6 1 0.37216986 0.83911163 0.11751669 1 C C7 1 0.62287365 0.08854923 0.36779415 1

C-107717-3127-49

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83862000 _cell_length_b 4.75310000 _cell_length_c 4.91688000 _cell_angle_alpha 117.87696000 _cell_angle_beta 85.09085000 _cell_angle_gamma 118.38205000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C12 _cell_volume 86.57388720 _cell_formula_units_Z 12 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.79518695 0.59028919 0.26512074 1 C C1 1 0.63703651 0.09120148 0.42534969 1 C C2 1 1.12426614 0.43570198 0.93393951 1 C C3 1 0.30656425 0.93735272 0.75515315 1 C C4 1 0.43091491 0.17550067 0.63116693 1 C C5 1 0.00046724 0.67401796 0.05834012 1 C C6 1 0.43080767 0.69948552 0.63171822 1 C C7 1 0.33825576 0.43678684 0.72244249 1 C C8 1 0.63686469 0.78321272 0.42555945 1 C C9 1 0.09359614 0.93705305 0.96754915 1 C C10 1 0.79532757 0.28213413 1.26479968 1 C C11 1 0.00080466 0.19788295 1.05826058 1

C-157691-3994-11

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.46671000 _cell_length_b 3.38116000 _cell_length_c 5.24880000 _cell_angle_alpha 89.19435000 _cell_angle_beta 89.90303000 _cell_angle_gamma 111.23058000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 40.80056668 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.49887559 0.79113473 0.21055761 1 C C1 1 0.53580427 0.86499548 0.93560864 1 C C2 1 0.90839836 0.60963423 0.33530561 1 C C3 1 0.05691397 -0.09219542 0.81047555 1 C C4 1 1.09729575 0.98092686 0.53534444 1 C C5 1 0.68778346 0.16181752 0.41033866 1

C-189700-5976-30

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48107000 _cell_length_b 3.68928000 _cell_length_c 4.21691000 _cell_angle_alpha 104.81997000 _cell_angle_beta 89.94189000 _cell_angle_gamma 109.64361000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 34.98984362 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.03318396 0.72471444 0.90292571 1 C C1 1 0.99572381 0.65337784 0.53767386 1 C C2 1 0.45473136 0.56818665 0.03393371 1 C C3 1 0.57419040 0.81046866 0.40682881 1 C C4 1 0.77491443 0.20846785 0.33155997 1 C C5 1 0.25581874 0.17018835 0.10935534 1

C-96684-2672-5

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.43223000 _cell_length_b 3.00807000 _cell_length_c 6.40374000 _cell_angle_alpha 86.18147000 _cell_angle_beta 79.30034000 _cell_angle_gamma 108.91548000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 43.14413288 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.59753748 0.05578816 0.54124830 1 C C1 1 0.04283175 0.06155263 0.65187081 1 C C2 1 0.70741253 0.05729346 0.31924582 1 C C3 1 0.37818611 1.06687436 -0.01506977 1 C C4 1 0.93501102 0.06542315 0.87356232 1 C C5 1 0.26576571 1.05905453 0.20733403 1

C-141043-2496-23

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79959000 _cell_length_b 2.46392000 _cell_length_c 8.64186000 _cell_angle_alpha 73.50988000 _cell_angle_beta 57.98700000 _cell_angle_gamma 71.09409000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 64.26330727 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.46151563 0.70267383 0.20246938 1 C C1 1 0.27446128 0.18017440 0.31953190 1 C C2 1 0.24826868 -0.12645884 0.63726789 1 C C3 1 0.89720441 0.52329002 0.16255962 1 C C4 1 0.53210330 0.93345036 0.43704724 1 C C5 1 0.54490378 0.85874430 0.00303351 1 C C6 1 0.82700549 0.29277106 0.92756049 1 C C7 1 0.11024429 0.35316686 0.72704978 1 C C8 1 0.08414944 0.04550661 1.04542789 1 C C9 1 0.81387529 0.36756099 0.36192439 1

C-80155-5756-52

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45636000 _cell_length_b 3.66418000 _cell_length_c 6.97166000 _cell_angle_alpha 113.56481000 _cell_angle_beta 110.60801000 _cell_angle_gamma 70.43198000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 52.43814540 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.80091092 0.09121879 0.84666876 1 C C1 1 0.40398980 0.53379137 0.17099535 1 C C2 1 -0.03334386 0.62232973 0.27786626 1 C C3 1 0.97624387 0.63974547 0.79701734 1 C C4 1 0.26309340 0.34291400 0.93400889 1 C C5 1 0.39229861 0.51697028 0.65151233 1 C C6 1 0.57003039 1.06520943 0.60172932 1 C C7 1 1.10967938 0.81306264 0.51469244 1

C-53818-5632-35

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.42250000 _cell_length_b 4.17024000 _cell_length_c 4.82289000 _cell_angle_alpha 94.34985000 _cell_angle_beta 119.94846000 _cell_angle_gamma 89.67668000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 42.06618570 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 -0.07628640 0.35327300 0.77150010 1 C C1 1 0.57652839 0.31667797 0.92406321 1 C C2 1 0.57877468 0.41236118 0.42640717 1 C C3 1 -0.07703427 0.25529506 0.26875319 1 C C4 1 0.52056915 0.75756747 0.36526585 1 C C5 1 0.98142815 0.90965140 0.32725618 1

C-40091-1213-7

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48021000 _cell_length_b 3.68863000 _cell_length_c 4.21763000 _cell_angle_alpha 75.21604000 _cell_angle_beta 89.99223000 _cell_angle_gamma 70.33647000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 34.97624932 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.45768367 0.67357099 0.61936211 1 C C1 1 0.23352046 0.11920344 0.41296313 1 C C2 1 0.91392356 0.75920035 1.11561766 1 C C3 1 0.71464729 0.15711109 0.19107894 1 C C4 1 0.49211597 0.60242899 0.98455358 1 C C5 1 0.03607056 0.51697874 0.48820587 1

C-172941-6659-36

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.42550000 _cell_length_b 4.85187000 _cell_length_c 6.35485000 _cell_angle_alpha 41.41342000 _cell_angle_beta 67.69740000 _cell_angle_gamma 60.08476000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 42.87641728 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 -0.31260979 0.04904004 0.44537559 1 C C1 1 0.03539814 0.64195243 0.50536773 1 C C2 1 0.62746802 0.45628674 0.09822804 1 C C3 1 0.69051385 0.45617504 0.53639882 1 C C4 1 1.09688429 0.64171160 -0.05674543 1 C C5 1 1.03733079 0.04912226 0.59619916 1

C-152591-5216-36

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45594000 _cell_length_b 4.49886000 _cell_length_c 7.10749000 _cell_angle_alpha 93.62258000 _cell_angle_beta 79.96008000 _cell_angle_gamma 105.97858000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 74.33043955 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.68472898 0.77587985 0.01162723 1 C C1 1 0.45131682 0.12374234 0.82283874 1 C C2 1 0.45507980 0.96183892 0.65505146 1 C C3 1 0.92905862 0.83915556 0.58403006 1 C C4 1 0.32407407 0.45414698 0.40096892 1 C C5 1 0.85197795 0.57773725 0.47157774 1 C C6 1 -0.11754408 0.10416979 -0.06156796 1 C C7 1 0.89219868 0.31027976 0.11812130 1 C C8 1 0.32386231 0.29070690 0.23366342 1 C C9 1 0.09913765 0.63901295 1.04454259 1

C-28230-7089-27

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35885000 _cell_length_b 3.38886000 _cell_length_c 4.83168000 _cell_angle_alpha 84.65687000 _cell_angle_beta 59.62380000 _cell_angle_gamma 65.49027000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 42.69272689 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.47798957 0.25601900 0.34315796 1 C C1 1 1.03933489 0.69939022 0.83976727 1 C C2 1 0.63594085 0.10023462 0.02974321 1 C C3 1 1.07509890 0.65707631 0.53293996 1 C C4 1 0.68937601 0.04201084 0.53313881 1 C C5 1 0.42417268 0.31403900 0.83986059 1

C-57111-4456-17

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.56905000 _cell_length_b 4.94550000 _cell_length_c 7.62331000 _cell_angle_alpha 89.98828000 _cell_angle_beta 89.35966000 _cell_angle_gamma 90.00717000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C16 _cell_volume 96.84990697 _cell_formula_units_Z 16 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 1.01794958 0.08658620 1.02504899 1 C C1 1 0.52515544 0.92554184 0.78384533 1 C C2 1 1.03235470 0.87018001 0.47085471 1 C C3 1 1.02137074 0.87011476 0.29173357 1 C C4 1 0.03391076 0.12366696 0.55169538 1 C C5 1 0.02955114 0.37287411 0.47235208 1 C C6 1 1.02320973 0.29868775 0.88220135 1 C C7 1 1.02839639 0.08700415 0.73838783 1 C C8 1 0.51979664 0.92536862 -0.01983693 1 C C9 1 1.01810408 0.12363451 0.21140024 1 C C10 1 0.03119572 0.62121287 0.58714274 1 C C11 1 0.51799457 0.64532505 1.05512614 1 C C12 1 0.01993148 0.37283925 0.29033558 1 C C13 1 0.52720511 0.64532503 0.70909955 1 C C14 1 0.01645907 0.62120517 0.17631034 1 C C15 1 0.52268433 0.46669911 0.88234490 1

C-34627-4459-50

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34027000 _cell_length_b 3.70003000 _cell_length_c 4.81909000 _cell_angle_alpha 102.38703000 _cell_angle_beta 89.21737000 _cell_angle_gamma 127.20494000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 59.53113829 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.91023231 0.44534077 0.00679072 1 C C1 1 0.42608421 1.12973396 0.72002854 1 C C2 1 0.19824307 -0.32866557 0.23854608 1 C C3 1 0.52227872 0.67098726 0.23861057 1 C C4 1 0.14118094 -0.09149929 0.48548083 1 C C5 1 0.75261198 0.13037999 0.71993573 1 C C6 1 0.81685864 0.90860013 0.48548732 1 C C7 1 0.58399732 0.44453703 1.00692391 1

C-40128-4097-20

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.47853000 _cell_length_b 2.47814000 _cell_length_c 6.77783000 _cell_angle_alpha 68.56487000 _cell_angle_beta 68.54572000 _cell_angle_gamma 59.97219000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 32.67459942 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.82641875 0.58758811 0.71779346 1 C C1 1 0.27122218 1.03016263 0.05221524 1 C C2 1 0.38102073 0.13902044 0.38728985 1 C C3 1 -0.00865172 0.75058928 0.47053798 1 C C4 1 0.43776577 0.19873285 0.80113507 1 C C5 1 0.54859170 0.30713819 0.13621861 1

C-107734-9364-54

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.52326000 _cell_length_b 4.45463000 _cell_length_c 4.30678000 _cell_angle_alpha 76.91974000 _cell_angle_beta 85.32772000 _cell_angle_gamma 97.58778000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 46.42831052 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.17970259 0.24050665 1.01635178 1 C C1 1 0.05208021 1.08845720 0.73453429 1 C C2 1 0.64086211 0.11987204 0.21654243 1 C C3 1 0.87910332 0.74820214 0.91359327 1 C C4 1 0.54337615 0.54975649 0.50410523 1 C C5 1 0.35441319 0.58074220 0.83746481 1 C C6 1 0.59127908 0.20891906 0.53447984 1 C C7 1 0.69081555 0.77938221 0.24690995 1

C-47642-4937-56

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.44720000 _cell_length_b 6.56128000 _cell_length_c 7.58442000 _cell_angle_alpha 76.82001000 _cell_angle_beta 107.58771000 _cell_angle_gamma 105.51520000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C16 _cell_volume 110.41289279 _cell_formula_units_Z 16 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.50769977 0.56860123 0.36565236 1 C C1 1 0.10334816 0.69472428 0.38562606 1 C C2 1 0.69032540 0.81274774 0.04486762 1 C C3 1 0.74930995 0.27666421 0.24694031 1 C C4 1 0.78313735 0.13067105 0.77085421 1 C C5 1 0.35846573 0.37886856 0.30064292 1 C C6 1 0.06483787 0.75364714 0.97478116 1 C C7 1 0.58274869 1.04239322 0.21332375 1 C C8 1 0.95561137 -0.08881507 0.58453207 1 C C9 1 0.02127607 0.25245631 0.92908374 1 C C10 1 0.34983351 0.82624698 0.53644859 1 C C11 1 0.17725890 0.07127880 0.70074388 1 C C12 1 0.79113997 0.58782089 0.86682723 1 C C13 1 0.58677149 0.21206604 1.04790474 1 C C14 1 0.18929438 0.48418615 0.85420183 1 C C15 1 0.98997750 0.90787208 0.21587373 1

C-92160-9421-10

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.45461000 _cell_length_b 4.77572000 _cell_length_c 7.02800000 _cell_angle_alpha 82.20500000 _cell_angle_beta 81.87030000 _cell_angle_gamma 79.30428000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C14 _cell_volume 79.63278621 _cell_formula_units_Z 14 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 1.17644699 0.64889077 0.04492173 1 C C1 1 0.71102307 -0.19205304 0.46686535 1 C C2 1 0.87006670 0.47747462 0.77683336 1 C C3 1 0.64072511 0.56539810 0.37196205 1 C C4 1 0.75101464 0.08703093 0.35694104 1 C C5 1 0.33657408 0.43206760 0.90566952 1 C C6 1 0.12728960 0.95155197 0.74355478 1 C C7 1 0.61983821 0.29633098 0.50856354 1 C C8 1 0.42652301 0.12728489 0.02086413 1 C C9 1 0.28896964 0.18371038 0.23432944 1 C C10 1 0.71879094 0.78938521 0.68060402 1 C C11 1 0.02657195 0.95757211 0.96485444 1 C C12 1 0.19280461 0.51560018 0.24214395 1 C C13 1 0.06601313 0.25833901 0.63395024 1

C-172961-4783-9

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41493000 _cell_length_b 3.41632000 _cell_length_c 5.41215000 _cell_angle_alpha 98.86821000 _cell_angle_beta 98.83194000 _cell_angle_gamma 93.90800000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 61.37303547 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.80892180 0.24825513 0.07287377 1 C C1 1 0.57134682 0.48772622 0.50501604 1 C C2 1 0.53453060 0.93369995 0.89744922 1 C C3 1 -0.18960899 0.73106314 0.73255977 1 C C4 1 0.17959160 0.09958062 0.22079239 1 C C5 1 0.32739113 0.73025626 0.07338405 1 C C6 1 0.52666866 0.44718887 0.22562900 1 C C7 1 1.01437937 0.45607984 0.89778179 1 C C8 1 0.15910506 0.07985996 0.73707687 1 C C9 1 0.27953935 0.19749222 0.50540480 1

C-28224-863-14

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.46318000 _cell_length_b 3.79861000 _cell_length_c 7.36945000 _cell_angle_alpha 90.12669000 _cell_angle_beta 80.38326000 _cell_angle_gamma 108.93463000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C10 _cell_volume 64.20574720 _cell_formula_units_Z 10 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.13738833 0.20163869 0.90554778 1 C C1 1 0.32572372 0.73553131 0.06336483 1 C C2 1 0.73273814 0.66606181 0.18035486 1 C C3 1 0.71832431 0.96001264 0.49807170 1 C C4 1 1.14890107 0.91190255 0.58829587 1 C C5 1 1.00979228 0.82722902 0.78855218 1 C C6 1 0.54448972 0.13135615 0.02256871 1 C C7 1 0.36890977 0.62039823 0.86375848 1 C C8 1 0.50568046 0.24726441 0.22204284 1 C C9 1 -0.13575209 0.04100939 0.29730946 1

C-28232-5757-44

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.43212000 _cell_length_b 4.25366000 _cell_length_c 4.30464000 _cell_angle_alpha 82.95722000 _cell_angle_beta 80.00516000 _cell_angle_gamma 83.81943000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C6 _cell_volume 43.35617213 _cell_formula_units_Z 6 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.25326811 0.47577443 1.10369600 1 C C1 1 0.58676484 0.80996522 0.43602981 1 C C2 1 0.69788601 0.58771067 0.21501859 1 C C3 1 0.36457086 0.25469279 0.88139735 1 C C4 1 1.03137115 0.92204400 0.54721139 1 C C5 1 -0.07994807 0.14305739 0.76959796 1

C-56475-1508-55

# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.48420000 _cell_length_b 3.82362000 _cell_length_c 5.98137000 _cell_angle_alpha 59.64675000 _cell_angle_beta 78.04467000 _cell_angle_gamma 71.03316000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _chemical_formula_sum C8 _cell_volume 46.30107644 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.18543334 0.30749191 0.39356710 1 C C1 1 0.67541497 -0.11710508 0.83828776 1 C C2 1 0.46162776 0.25479508 0.89451498 1 C C3 1 0.85125264 0.37068122 1.00088364 1 C C4 1 0.96961524 0.67888348 0.45047791 1 C C5 1 -0.20393384 1.19114387 0.28745409 1 C C6 1 0.42344624 0.60809787 0.61545871 1 C C7 1 0.22130525 0.95407446 0.67325431 1