Unnamed: 0.1 int64 0 27.1k | Unnamed: 0 int64 1 45.2k | material_id stringlengths 4 10 | formation_energy_per_atom float64 -5.15 0.08 | band_gap float64 0 17.9 | pretty_formula stringlengths 1 18 | e_above_hull float64 0 0.08 | elements stringlengths 5 40 | cif stringlengths 692 1.73k | spacegroup.number int64 1 229 | spacegroup.number.conv int64 1 229 | cif.conv stringlengths 696 5.07k |
|---|---|---|---|---|---|---|---|---|---|---|---|
24,800 | 22,245 | mp-1227445 | -2.200834 | 0 | BaSrNdTlCu2O7 | 0.003048 | ['Ba', 'Cu', 'Nd', 'O', 'Sr', 'Tl'] | # generated using pymatgen
data_BaSrNdTlCu2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.88819500
_cell_length_b 3.91798300
_cell_length_c 12.62761159
_cell_angle_alpha 89.81817029
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | 6 | 6 | # generated using pymatgen
data_BaSrNdTlCu2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91798300
_cell_length_b 3.88819500
_cell_length_c 12.62761159
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.18182971
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... |
24,801 | 43,805 | mp-542333 | -0.254794 | 0 | Cu9S5 | 0.072211 | ['Cu', 'S'] | # generated using pymatgen
data_Cu9S5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 16.22725119
_cell_length_b 16.22725119
_cell_length_c 16.22725074
_cell_angle_alpha 13.71040695
_cell_angle_beta 13.71040695
_cell_angle_gamma 13.71040887
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_Cu9S5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.87378970
_cell_length_b 3.87378970
_cell_length_c 48.21715824
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,802 | 18,811 | mp-3939 | -0.806314 | 0 | Sm(SiNi)2 | 0 | ['Ni', 'Si', 'Sm'] | # generated using pymatgen
data_Sm(SiNi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.56563217
_cell_length_b 5.56563217
_cell_length_c 5.56563217
_cell_angle_alpha 137.67313964
_cell_angle_beta 137.67313964
_cell_angle_gamma 61.40397086
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Sm(SiNi)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01871400
_cell_length_b 4.01871400
_cell_length_c 9.57104599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,803 | 3,032 | mp-1078999 | -0.411476 | 2.445 | NdAlH6 | 0 | ['Al', 'H', 'Nd'] | # generated using pymatgen
data_NdAlH6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25340565
_cell_length_b 4.25340565
_cell_length_c 4.25340625
_cell_angle_alpha 98.46449346
_cell_angle_beta 98.46449346
_cell_angle_gamma 98.46450427
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_NdAlH6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44274197
_cell_length_b 6.44274197
_cell_length_c 6.18840693
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,804 | 9,436 | mp-862916 | -0.300937 | 0 | PmInCu2 | 0 | ['Cu', 'In', 'Pm'] | # generated using pymatgen
data_PmInCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76652479
_cell_length_b 4.76652479
_cell_length_c 4.76652479
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_PmInCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.74088400
_cell_length_b 6.74088400
_cell_length_c 6.74088400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,805 | 23,994 | mp-989695 | 0.005766 | 0 | Cu | 0.005766 | ['Cu'] | # generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.55762815
_cell_length_b 2.55762815
_cell_length_c 8.34308200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000400
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cu
... | 194 | 194 | # generated using pymatgen
data_Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.55762815
_cell_length_b 2.55762815
_cell_length_c 8.34308200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cu
... |
24,806 | 28,518 | mp-1076960 | -0.709539 | 0 | TmB2Rh3 | 0.015677 | ['B', 'Rh', 'Tm'] | # generated using pymatgen
data_TmB2Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41094540
_cell_length_b 5.41094540
_cell_length_c 3.12248800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999265
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 191 | 191 | # generated using pymatgen
data_TmB2Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41094540
_cell_length_b 5.41094540
_cell_length_c 3.12248800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,807 | 40,118 | mp-1186274 | 0.0017 | 0 | Nd3Mg | 0.055922 | ['Mg', 'Nd'] | # generated using pymatgen
data_Nd3Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04608400
_cell_length_b 5.04608400
_cell_length_c 5.04608400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | 221 | 221 | # generated using pymatgen
data_Nd3Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04608400
_cell_length_b 5.04608400
_cell_length_c 5.04608400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... |
24,808 | 236 | mp-1495 | -0.84244 | 0 | ErIr2 | 0 | ['Er', 'Ir'] | # generated using pymatgen
data_ErIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34234164
_cell_length_b 5.34234164
_cell_length_c 5.34234164
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | 227 | 227 | # generated using pymatgen
data_ErIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.55521200
_cell_length_b 7.55521200
_cell_length_c 7.55521200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... |
24,809 | 44,930 | mp-756520 | -2.341218 | 1.6405 | Li2AlCoO4 | 0.076186 | ['Al', 'Co', 'Li', 'O'] | # generated using pymatgen
data_Li2AlCoO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33780504
_cell_length_b 5.33780504
_cell_length_c 6.32346800
_cell_angle_alpha 89.99892740
_cell_angle_beta 90.00109621
_cell_angle_gamma 89.52710787
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 20 | 20 | # generated using pymatgen
data_Li2AlCoO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.51758000
_cell_length_b 7.57988400
_cell_length_c 6.32346800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,810 | 23,160 | mp-1213232 | -2.672071 | 4.8054 | CsPO3 | 0.004861 | ['Cs', 'O', 'P'] | # generated using pymatgen
data_CsPO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62419100
_cell_length_b 6.53342800
_cell_length_c 13.84518400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 62 | 62 | # generated using pymatgen
data_CsPO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62419100
_cell_length_b 6.53342800
_cell_length_c 13.84518400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,811 | 15,806 | mp-27833 | -1.224487 | 2.6503 | Tl2TeCl6 | 0 | ['Tl', 'Te', 'Cl'] | # generated using pymatgen
data_Tl2TeCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.33545645
_cell_length_b 7.33545645
_cell_length_c 7.33545645
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_Tl2TeCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.37390200
_cell_length_b 10.37390200
_cell_length_c 10.37390200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,812 | 44,090 | mp-1111662 | -2.900635 | 4.1336 | K2LiSbF6 | 0.073284 | ['F', 'K', 'Li', 'Sb'] | # generated using pymatgen
data_K2LiSbF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08036454
_cell_length_b 6.08036454
_cell_length_c 6.08036454
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_K2LiSbF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.59893400
_cell_length_b 8.59893400
_cell_length_c 8.59893400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,813 | 19,116 | mp-1187210 | -0.404646 | 0 | Ta2TcOs | 0 | ['Os', 'Ta', 'Tc'] | # generated using pymatgen
data_Ta2TcOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50993412
_cell_length_b 4.50993412
_cell_length_c 4.50993412
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_Ta2TcOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.37801000
_cell_length_b 6.37801000
_cell_length_c 6.37801000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,814 | 12,224 | mp-16118 | -1.729368 | 1.049 | RbDy2CuSe4 | 0 | ['Cu', 'Dy', 'Rb', 'Se'] | # generated using pymatgen
data_RbDy2CuSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.45626157
_cell_length_b 7.45626157
_cell_length_c 14.43578600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 147.76451304
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 63 | 63 | # generated using pymatgen
data_RbDy2CuSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13989800
_cell_length_b 14.32636000
_cell_length_c 14.43578600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,815 | 29,419 | mp-753536 | -1.623427 | 0 | Li2CoNiO4 | 0.017019 | ['Co', 'Li', 'Ni', 'O'] | # generated using pymatgen
data_Li2CoNiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79090223
_cell_length_b 5.79090223
_cell_length_c 5.79090223
_cell_angle_alpha 120.63744170
_cell_angle_beta 120.41738978
_cell_angle_gamma 89.08899843
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 74 | 74 | # generated using pymatgen
data_Li2CoNiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73501800
_cell_length_b 5.75433000
_cell_length_c 8.25441999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,816 | 29,044 | mp-1095461 | -0.041701 | 0 | NdCo3 | 0.016893 | ['Co', 'Nd'] | # generated using pymatgen
data_NdCo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08442816
_cell_length_b 5.08442816
_cell_length_c 8.77562108
_cell_angle_alpha 73.16057186
_cell_angle_beta 73.16057186
_cell_angle_gamma 59.99999788
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | 166 | 166 | # generated using pymatgen
data_NdCo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08442808
_cell_length_b 5.08442808
_cell_length_c 24.81027000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,817 | 33,257 | mp-1227736 | -2.584401 | 0.6697 | BaSr(SnO3)2 | 0.028306 | ['Ba', 'O', 'Sn', 'Sr'] | # generated using pymatgen
data_BaSr(SnO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.87119387
_cell_length_b 5.87119387
_cell_length_c 5.87119387
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 225 | 225 | # generated using pymatgen
data_BaSr(SnO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.30312200
_cell_length_b 8.30312200
_cell_length_c 8.30312200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,818 | 29,601 | mp-1178620 | -1.103941 | 0 | ZrPRu | 0.01808 | ['P', 'Ru', 'Zr'] | # generated using pymatgen
data_ZrPRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.46944276
_cell_length_b 6.46944276
_cell_length_c 3.83965400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000779
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_ZrPRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.46944276
_cell_length_b 6.46944276
_cell_length_c 3.83965400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,819 | 5,903 | mp-6647 | -1.781909 | 1.3254 | BaYAgSe3 | 0 | ['Ag', 'Ba', 'Se', 'Y'] | # generated using pymatgen
data_BaYAgSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.48604271
_cell_length_b 7.48604271
_cell_length_c 10.81311900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 146.64423600
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 63 | 63 | # generated using pymatgen
data_BaYAgSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29685000
_cell_length_b 14.34226000
_cell_length_c 10.81311900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,820 | 13,100 | mp-11531 | -0.242251 | 0 | VNi2 | 0 | ['V', 'Ni'] | # generated using pymatgen
data_VNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.38176017
_cell_length_b 4.38176017
_cell_length_c 4.38176017
_cell_angle_alpha 146.55603549
_cell_angle_beta 131.84154215
_cell_angle_gamma 59.90084221
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 71 | 71 | # generated using pymatgen
data_VNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52151000
_cell_length_b 3.57551200
_cell_length_c 7.59322000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VN... |
24,821 | 28,051 | mp-1105551 | -0.695392 | 0 | Tb5Rh3 | 0.014365 | ['Rh', 'Tb'] | # generated using pymatgen
data_Tb5Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.33368396
_cell_length_b 8.33368396
_cell_length_c 6.33921500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999965
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 193 | 193 | # generated using pymatgen
data_Tb5Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.33368396
_cell_length_b 8.33368396
_cell_length_c 6.33921500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,822 | 10,628 | mp-1206567 | -3.765394 | 3.3981 | Ba2ScPaO6 | 0 | ['Ba', 'O', 'Pa', 'Sc'] | # generated using pymatgen
data_Ba2ScPaO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.10445143
_cell_length_b 6.10445143
_cell_length_c 6.10445143
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 225 | 225 | # generated using pymatgen
data_Ba2ScPaO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.63299800
_cell_length_b 8.63299800
_cell_length_c 8.63299800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,823 | 19,569 | mp-1103989 | -1.180023 | 0 | Nd(Mo3S4)2 | 0 | ['Mo', 'Nd', 'S'] | # generated using pymatgen
data_Nd(Mo3S4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.55565078
_cell_length_b 6.55565078
_cell_length_c 6.55565072
_cell_angle_alpha 89.06860652
_cell_angle_beta 89.06860652
_cell_angle_gamma 89.06860712
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 148 | 148 | # generated using pymatgen
data_Nd(Mo3S4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.19542996
_cell_length_b 9.19542996
_cell_length_c 11.53781680
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,824 | 35,020 | mp-1072802 | -0.482269 | 0 | CaZnSn | 0.034534 | ['Ca', 'Sn', 'Zn'] | # generated using pymatgen
data_CaZnSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62326617
_cell_length_b 4.62326617
_cell_length_c 8.18432900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000242
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_CaZnSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62326617
_cell_length_b 4.62326617
_cell_length_c 8.18432900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,825 | 34,845 | mp-504997 | -2.36012 | 1.6069 | NdCu(WO4)2 | 0.033454 | ['Cu', 'Nd', 'O', 'W'] | # generated using pymatgen
data_NdCu(WO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.14106600
_cell_length_b 6.10273116
_cell_length_c 6.32946811
_cell_angle_alpha 108.33533749
_cell_angle_beta 92.28485345
_cell_angle_gamma 112.28572394
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 2 | 2 | # generated using pymatgen
data_NdCu(WO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.14106600
_cell_length_b 6.10273116
_cell_length_c 6.32946811
_cell_angle_alpha 108.33533749
_cell_angle_beta 92.28485345
_cell_angle_gamma 112.28572394
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,826 | 20,725 | mp-1226949 | -0.426049 | 0 | Ce2Ga5Cu3 | 0.000532 | ['Ce', 'Cu', 'Ga'] | # generated using pymatgen
data_Ce2Ga5Cu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22621600
_cell_length_b 4.22621600
_cell_length_c 10.20863500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 115 | 115 | # generated using pymatgen
data_Ce2Ga5Cu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22621600
_cell_length_b 4.22621600
_cell_length_c 10.20863500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,827 | 23,548 | mp-1103650 | -0.788054 | 1.9946 | RbCu2I3 | 0.005937 | ['Cu', 'I', 'Rb'] | # generated using pymatgen
data_RbCu2I3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.82324645
_cell_length_b 8.82324645
_cell_length_c 5.64079800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 102.88287492
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_RbCu2I3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.99931000
_cell_length_b 13.79905400
_cell_length_c 5.64079800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,828 | 34,823 | mp-22949 | -1.640832 | 1.8606 | FeBiO3 | 0.033579 | ['Bi', 'Fe', 'O'] | # generated using pymatgen
data_FeBiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.66217500
_cell_length_b 5.66254374
_cell_length_c 5.81859524
_cell_angle_alpha 119.11880735
_cell_angle_beta 89.99992081
_cell_angle_gamma 119.99798097
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 160 | 160 | # generated using pymatgen
data_FeBiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.66253796
_cell_length_b 5.66253796
_cell_length_c 7.21981350
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,829 | 21,571 | mp-1106265 | -1.91176 | 1.7113 | Ba2YGaSe5 | 0.001966 | ['Ba', 'Ga', 'Se', 'Y'] | # generated using pymatgen
data_Ba2YGaSe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.40300500
_cell_length_b 8.78670301
_cell_length_c 9.54020479
_cell_angle_alpha 103.52325304
_cell_angle_beta 103.07385127
_cell_angle_gamma 107.39854701
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 2 | 2 | # generated using pymatgen
data_Ba2YGaSe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.40300500
_cell_length_b 8.78670301
_cell_length_c 9.54020479
_cell_angle_alpha 103.52325304
_cell_angle_beta 103.07385127
_cell_angle_gamma 107.39854701
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,830 | 4,108 | mp-1185509 | -0.373984 | 0 | LuAlCu2 | 0 | ['Al', 'Cu', 'Lu'] | # generated using pymatgen
data_LuAlCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46307698
_cell_length_b 4.46307698
_cell_length_c 4.46307698
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_LuAlCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.31174400
_cell_length_b 6.31174400
_cell_length_c 6.31174400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,831 | 8,462 | mp-9059 | -2.491738 | 4.4134 | KLi6TaO6 | 0 | ['K', 'Li', 'O', 'Ta'] | # generated using pymatgen
data_KLi6TaO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38152356
_cell_length_b 5.38152356
_cell_length_c 5.38152375
_cell_angle_alpha 101.19522748
_cell_angle_beta 101.19522748
_cell_angle_gamma 101.19523860
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 166 | 166 | # generated using pymatgen
data_KLi6TaO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.31668374
_cell_length_b 8.31668374
_cell_length_c 7.29009518
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,832 | 24,255 | mp-1225118 | -0.244115 | 0 | Er(Fe5Si)2 | 0.006347 | ['Er', 'Fe', 'Si'] | # generated using pymatgen
data_Er(Fe5Si)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74766200
_cell_length_b 6.33370632
_cell_length_c 6.33370632
_cell_angle_alpha 98.38614216
_cell_angle_beta 112.01154109
_cell_angle_gamma 67.98845891
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 71 | 71 | # generated using pymatgen
data_Er(Fe5Si)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74766200
_cell_length_b 8.27830800
_cell_length_c 8.33022600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,833 | 5,035 | mp-1079261 | -0.670119 | 0 | ErCuSb2 | 0 | ['Cu', 'Er', 'Sb'] | # generated using pymatgen
data_ErCuSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29181200
_cell_length_b 4.29181200
_cell_length_c 9.78049300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 129 | 129 | # generated using pymatgen
data_ErCuSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29181200
_cell_length_b 4.29181200
_cell_length_c 9.78049300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,834 | 35,541 | mp-1095127 | -0.329275 | 0 | USbRu | 0.03592 | ['Ru', 'Sb', 'U'] | # generated using pymatgen
data_USbRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.40393269
_cell_length_b 7.40393269
_cell_length_c 3.98588600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000619
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_USbRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.40393269
_cell_length_b 7.40393269
_cell_length_c 3.98588600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,835 | 19,785 | mp-28369 | -0.406014 | 4.7582 | GeH3Cl | 0 | ['Ge', 'H', 'Cl'] | # generated using pymatgen
data_GeH3Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81491739
_cell_length_b 4.81491739
_cell_length_c 8.58306100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 105.83343506
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 36 | 36 | # generated using pymatgen
data_GeH3Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80655200
_cell_length_b 7.68229600
_cell_length_c 8.58306100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,836 | 42,764 | mp-1232117 | -1.650656 | 0 | EuS2 | 0.068032 | ['Eu', 'S'] | # generated using pymatgen
data_EuS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89939200
_cell_length_b 3.89939200
_cell_length_c 8.58697900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Eu... | 129 | 129 | # generated using pymatgen
data_EuS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89939200
_cell_length_b 3.89939200
_cell_length_c 8.58697900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Eu... |
24,837 | 33,584 | mp-1174771 | -2.060506 | 0.8346 | Li6Mn3CoO10 | 0.030033 | ['Co', 'Li', 'Mn', 'O'] | # generated using pymatgen
data_Li6Mn3CoO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02846478
_cell_length_b 5.82695064
_cell_length_c 6.63840141
_cell_angle_alpha 76.41165843
_cell_angle_beta 81.56712287
_cell_angle_gamma 106.92337901
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 1 | 1 | # generated using pymatgen
data_Li6Mn3CoO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02846478
_cell_length_b 5.82695064
_cell_length_c 6.63840141
_cell_angle_alpha 103.58834157
_cell_angle_beta 98.43287713
_cell_angle_gamma 106.92337901
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
24,838 | 6,491 | mp-989590 | -1.314986 | 0.4712 | Ca6Sn2NF | 0 | ['Ca', 'Sn', 'N', 'F'] | # generated using pymatgen
data_Ca6Sn2NF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.96057813
_cell_length_b 6.96057813
_cell_length_c 6.96057813
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_Ca6Sn2NF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.84374399
_cell_length_b 9.84374399
_cell_length_c 9.84374399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,839 | 41,856 | mp-684996 | -2.737382 | 2.0568 | Ba3LaZnReWO12 | 0.06119 | ['Ba', 'La', 'O', 'Re', 'W', 'Zn'] | # generated using pymatgen
data_Ba3LaZnReWO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.82892874
_cell_length_b 9.82892874
_cell_length_c 9.82892891
_cell_angle_alpha 33.95260673
_cell_angle_beta 33.95260673
_cell_angle_gamma 33.95260744
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 160 | 160 | # generated using pymatgen
data_Ba3LaZnReWO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73962596
_cell_length_b 5.73962596
_cell_length_c 27.76041522
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_stru... |
24,840 | 32,210 | mp-1219244 | 0.025577 | 0 | Sm2CrFe16 | 0.025577 | ['Cr', 'Fe', 'Sm'] | # generated using pymatgen
data_Sm2CrFe16
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43933384
_cell_length_b 6.43933384
_cell_length_c 6.43933419
_cell_angle_alpha 82.60181875
_cell_angle_beta 82.60181875
_cell_angle_gamma 82.60182224
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 160 | 160 | # generated using pymatgen
data_Sm2CrFe16
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.50009597
_cell_length_b 8.50009597
_cell_length_c 12.50721000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,841 | 22,989 | mp-980055 | -0.085349 | 0 | YErMg2 | 0.003446 | ['Y', 'Er', 'Mg'] | # generated using pymatgen
data_YErMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35794607
_cell_length_b 5.35794607
_cell_length_c 5.35794607
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_YErMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.57728000
_cell_length_b 7.57728000
_cell_length_c 7.57728000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,842 | 14,901 | mp-574339 | -0.38124 | 0 | Y2Ni7 | 0 | ['Ni', 'Y'] | # generated using pymatgen
data_Y2Ni7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.36865305
_cell_length_b 12.36865305
_cell_length_c 12.36865364
_cell_angle_alpha 23.02863988
_cell_angle_beta 23.02863988
_cell_angle_gamma 23.02864013
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_Y2Ni7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.93788403
_cell_length_b 4.93788403
_cell_length_c 36.10684356
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,843 | 32,015 | mp-1028586 | -0.362037 | 1.6753 | Te2W | 0.025167 | ['Te', 'W'] | # generated using pymatgen
data_Te2W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55707944
_cell_length_b 3.55707944
_cell_length_c 40.13918400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998964
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_Te2W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55707944
_cell_length_b 3.55707944
_cell_length_c 40.13918400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,844 | 35,784 | mp-1247376 | -0.720226 | 0 | Sr2PtN2 | 0.037351 | ['N', 'Pt', 'Sr'] | # generated using pymatgen
data_Sr2PtN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.88450224
_cell_length_b 3.88450224
_cell_length_c 6.99269839
_cell_angle_alpha 106.12526676
_cell_angle_beta 106.12526676
_cell_angle_gamma 90.00325945
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 139 | 139 | # generated using pymatgen
data_Sr2PtN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.88450224
_cell_length_b 3.88450224
_cell_length_c 12.86135044
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,845 | 22,008 | mp-1025500 | -0.704996 | 0 | ZnCu2SnS4 | 0.002763 | ['Zn', 'Cu', 'Sn', 'S'] | # generated using pymatgen
data_ZnCu2SnS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.69580659
_cell_length_b 6.69580659
_cell_length_c 6.69580659
_cell_angle_alpha 131.95257914
_cell_angle_beta 131.95257914
_cell_angle_gamma 70.30393329
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 121 | 121 | # generated using pymatgen
data_ZnCu2SnS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45192200
_cell_length_b 5.45192200
_cell_length_c 10.94935599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,846 | 21,345 | mp-4909 | -1.085206 | 0 | V2NiS4 | 0.001574 | ['V', 'Ni', 'S'] | # generated using pymatgen
data_V2NiS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.29195225
_cell_length_b 6.29195225
_cell_length_c 5.85472676
_cell_angle_alpha 65.15002588
_cell_angle_beta 65.15002588
_cell_angle_gamma 29.69166264
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_V2NiS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.16383799
_cell_length_b 3.22423600
_cell_length_c 5.85472676
_cell_angle_alpha 90.00000000
_cell_angle_beta 115.76979502
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,847 | 32,586 | mp-1173173 | -2.65374 | 0 | SrLaGaCuO5 | 0.026647 | ['Cu', 'Ga', 'La', 'O', 'Sr'] | # generated using pymatgen
data_SrLaGaCuO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37563233
_cell_length_b 5.64861326
_cell_length_c 9.18496571
_cell_angle_alpha 107.81193332
_cell_angle_beta 107.29526463
_cell_angle_gamma 90.10991000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 9 | 9 | # generated using pymatgen
data_SrLaGaCuO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 17.42997787
_cell_length_b 5.64861326
_cell_length_c 5.37563233
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.63042634
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,848 | 32,316 | mp-177 | -0.307265 | 0 | USb | 0.025532 | ['Sb', 'U'] | # generated using pymatgen
data_USb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72979600
_cell_length_b 3.72979600
_cell_length_c 3.72979600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural USb... | 221 | 221 | # generated using pymatgen
data_USb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72979600
_cell_length_b 3.72979600
_cell_length_c 3.72979600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural USb... |
24,849 | 11,504 | mp-1018691 | -1.128083 | 0.0741 | Eu2H3Br | 0 | ['Br', 'Eu', 'H'] | # generated using pymatgen
data_Eu2H3Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07205965
_cell_length_b 4.07205965
_cell_length_c 7.19159200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999429
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_Eu2H3Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07205965
_cell_length_b 4.07205965
_cell_length_c 7.19159200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,850 | 38,569 | mp-1113013 | -1.570772 | 1.3776 | Cs2LiMoBr6 | 0.047541 | ['Br', 'Cs', 'Li', 'Mo'] | # generated using pymatgen
data_Cs2LiMoBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.73142776
_cell_length_b 7.73142776
_cell_length_c 7.73142776
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 225 | 225 | # generated using pymatgen
data_Cs2LiMoBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.93388999
_cell_length_b 10.93388999
_cell_length_c 10.93388999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
24,851 | 42,127 | mp-1184811 | 0.065663 | 0 | InGa3 | 0.065663 | ['Ga', 'In'] | # generated using pymatgen
data_InGa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.17403015
_cell_length_b 6.17403015
_cell_length_c 5.20594100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000164
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_InGa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.17403015
_cell_length_b 6.17403015
_cell_length_c 5.20594100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,852 | 20,359 | mp-569940 | -0.365096 | 0.037 | K3Bi | 0.000017 | ['Bi', 'K'] | # generated using pymatgen
data_K3Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24571847
_cell_length_b 6.24571847
_cell_length_c 11.09282400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000502
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_K3Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24571847
_cell_length_b 6.24571847
_cell_length_c 11.09282400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,853 | 2,051 | mp-1079937 | -0.581453 | 0 | Pr3Si2 | 0 | ['Pr', 'Si'] | # generated using pymatgen
data_Pr3Si2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.88243000
_cell_length_b 7.88243000
_cell_length_c 4.34159100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 127 | 127 | # generated using pymatgen
data_Pr3Si2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.88243000
_cell_length_b 7.88243000
_cell_length_c 4.34159100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,854 | 22,683 | mp-1219960 | -0.78394 | 0.4196 | Pb4SeS3 | 0.003614 | ['Pb', 'S', 'Se'] | # generated using pymatgen
data_Pb4SeS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.07750407
_cell_length_b 14.07750407
_cell_length_c 14.07750344
_cell_angle_alpha 17.53368857
_cell_angle_beta 17.53368857
_cell_angle_gamma 17.53368899
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 166 | 166 | # generated using pymatgen
data_Pb4SeS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29121590
_cell_length_b 4.29121590
_cell_length_c 41.57332599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,855 | 38,196 | mp-1220186 | -0.075538 | 0 | NdFeRu | 0.047125 | ['Fe', 'Nd', 'Ru'] | # generated using pymatgen
data_NdFeRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34526978
_cell_length_b 5.34526978
_cell_length_c 5.34526978
_cell_angle_alpha 88.54692978
_cell_angle_beta 58.93073565
_cell_angle_gamma 117.29473775
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 74 | 74 | # generated using pymatgen
data_NdFeRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.25864848
_cell_length_b 5.56232822
_cell_length_c 7.46289200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,856 | 403 | mp-977369 | -0.45125 | 0 | HoMgHg2 | 0 | ['Ho', 'Mg', 'Hg'] | # generated using pymatgen
data_HoMgHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07067687
_cell_length_b 5.07067687
_cell_length_c 5.07067687
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_HoMgHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.17102000
_cell_length_b 7.17102000
_cell_length_c 7.17102000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,857 | 25,528 | mp-1078577 | -0.697348 | 0 | DyNiGe2 | 0.00897 | ['Dy', 'Ge', 'Ni'] | # generated using pymatgen
data_DyNiGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.47374803
_cell_length_b 8.47374803
_cell_length_c 4.22612000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 151.87876153
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_DyNiGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11736600
_cell_length_b 16.43973601
_cell_length_c 4.22612000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,858 | 29,237 | mp-1223529 | -0.455014 | 0.2381 | KCu7S4 | 0.016819 | ['Cu', 'K', 'S'] | # generated using pymatgen
data_KCu7S4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.84414300
_cell_length_b 7.36875230
_cell_length_c 7.40434419
_cell_angle_alpha 85.19582573
_cell_angle_beta 75.17054702
_cell_angle_gamma 75.81307607
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 1 | 1 | # generated using pymatgen
data_KCu7S4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.84414300
_cell_length_b 7.36875230
_cell_length_c 7.40434419
_cell_angle_alpha 85.19582573
_cell_angle_beta 75.17054702
_cell_angle_gamma 75.81307607
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,859 | 40,479 | mp-981549 | 0.05487 | 0 | Y3Th | 0.05487 | ['Th', 'Y'] | # generated using pymatgen
data_Y3Th
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.23325425
_cell_length_b 7.23325425
_cell_length_c 5.81055600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000225
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | 194 | 194 | # generated using pymatgen
data_Y3Th
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.23325425
_cell_length_b 7.23325425
_cell_length_c 5.81055600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... |
24,860 | 14,109 | mp-1184310 | -0.362143 | 0 | Eu2ZnGa | 0 | ['Eu', 'Ga', 'Zn'] | # generated using pymatgen
data_Eu2ZnGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31816990
_cell_length_b 5.31816990
_cell_length_c 5.31816990
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_Eu2ZnGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.52102800
_cell_length_b 7.52102800
_cell_length_c 7.52102800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,861 | 12,192 | mp-1225824 | -3.035398 | 2.3203 | CsVZnF6 | 0 | ['Cs', 'F', 'V', 'Zn'] | # generated using pymatgen
data_CsVZnF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.53672736
_cell_length_b 7.53672736
_cell_length_c 7.53672736
_cell_angle_alpha 120.81719162
_cell_angle_beta 119.39949186
_cell_angle_gamma 89.81684800
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 74 | 74 | # generated using pymatgen
data_CsVZnF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.44344400
_cell_length_b 7.60503200
_cell_length_c 10.67556400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,862 | 26,009 | mp-1025224 | -1.056436 | 0 | V(CrS2)2 | 0.009797 | ['V', 'Cr', 'S'] | # generated using pymatgen
data_V(CrS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.47963324
_cell_length_b 6.47963324
_cell_length_c 6.11209945
_cell_angle_alpha 62.27992110
_cell_angle_beta 62.27992110
_cell_angle_gamma 30.63224125
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_V(CrS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.49899399
_cell_length_b 3.42311800
_cell_length_c 6.11209945
_cell_angle_alpha 90.00000000
_cell_angle_beta 118.83451146
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,863 | 19,448 | mp-864996 | -0.059411 | 0 | AcMg5 | 0 | ['Ac', 'Mg'] | # generated using pymatgen
data_AcMg5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.16386107
_cell_length_b 6.16386107
_cell_length_c 5.00177800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998998
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_AcMg5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.16386107
_cell_length_b 6.16386107
_cell_length_c 5.00177800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,864 | 16,306 | mp-30777 | -0.577994 | 0 | MgPt3 | 0 | ['Mg', 'Pt'] | # generated using pymatgen
data_MgPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96698500
_cell_length_b 3.96698500
_cell_length_c 3.96698500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | 221 | 221 | # generated using pymatgen
data_MgPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96698500
_cell_length_b 3.96698500
_cell_length_c 3.96698500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... |
24,865 | 36,833 | mp-2619 | -0.076645 | 0 | FeSb | 0.040361 | ['Fe', 'Sb'] | # generated using pymatgen
data_FeSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01480688
_cell_length_b 4.01480688
_cell_length_c 5.01975800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001445
_symmetry_Int_Tables_number 1
_chemical_formula_structural F... | 194 | 194 | # generated using pymatgen
data_FeSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01480688
_cell_length_b 4.01480688
_cell_length_c 5.01975800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural F... |
24,866 | 20,416 | mp-761036 | -1.316283 | 1.7262 | CdSeO4 | 0 | ['Cd', 'Se', 'O'] | # generated using pymatgen
data_CdSeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21643267
_cell_length_b 5.21643267
_cell_length_c 7.30807200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 113.39244518
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_CdSeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.72845600
_cell_length_b 8.71948800
_cell_length_c 7.30807200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,867 | 36,325 | mp-29582 | -1.789002 | 0.5086 | Li2CrCl4 | 0.039408 | ['Cl', 'Cr', 'Li'] | # generated using pymatgen
data_Li2CrCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.17812297
_cell_length_b 7.17812297
_cell_length_c 7.57043401
_cell_angle_alpha 62.33009159
_cell_angle_beta 62.33009159
_cell_angle_gamma 89.04726047
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_Li2CrCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.23544799
_cell_length_b 10.06664799
_cell_length_c 7.57043401
_cell_angle_alpha 90.00000000
_cell_angle_beta 130.64236448
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,868 | 38,027 | mp-1093992 | -1.813881 | 0 | ZrN | 0.046267 | ['N', 'Zr'] | # generated using pymatgen
data_ZrN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.20763937
_cell_length_b 3.20763937
_cell_length_c 5.52038700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998703
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr... | 194 | 194 | # generated using pymatgen
data_ZrN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.20763937
_cell_length_b 3.20763937
_cell_length_c 5.52038700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr... |
24,869 | 24 | mp-1206307 | -0.346051 | 0 | YbInNi4 | 0 | ['In', 'Ni', 'Yb'] | # generated using pymatgen
data_YbInNi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92809727
_cell_length_b 4.92809727
_cell_length_c 4.92809727
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 216 | 216 | # generated using pymatgen
data_YbInNi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.96938200
_cell_length_b 6.96938200
_cell_length_c 6.96938200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,870 | 39,830 | mp-29015 | -2.204852 | 2.0535 | CaThBr6 | 0.053062 | ['Ca', 'Th', 'Br'] | # generated using pymatgen
data_CaThBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17980700
_cell_length_b 9.22087600
_cell_length_c 13.80782300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 51 | 51 | # generated using pymatgen
data_CaThBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17980700
_cell_length_b 9.22087600
_cell_length_c 13.80782300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,871 | 43,595 | mp-1147541 | -1.696355 | 0 | Cu3As4(OF)6 | 0.073035 | ['As', 'Cu', 'F', 'O'] | # generated using pymatgen
data_Cu3As4(OF)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.98328591
_cell_length_b 6.98328591
_cell_length_c 6.98328591
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | 217 | 217 | # generated using pymatgen
data_Cu3As4(OF)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.06360400
_cell_length_b 8.06360400
_cell_length_c 8.06360400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,872 | 36,611 | mp-1178515 | -4.303526 | 6.45 | BaYF5 | 0.039909 | ['Ba', 'F', 'Y'] | # generated using pymatgen
data_BaYF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91548400
_cell_length_b 3.91601000
_cell_length_c 13.51542100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 51 | 51 | # generated using pymatgen
data_BaYF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91548400
_cell_length_b 3.91601000
_cell_length_c 13.51542100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,873 | 33,623 | mp-1186541 | 0.028897 | 0 | Pm3Sm | 0.028897 | ['Pm', 'Sm'] | # generated using pymatgen
data_Pm3Sm
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.32071511
_cell_length_b 7.32071511
_cell_length_c 5.97619300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999194
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_Pm3Sm
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.32071511
_cell_length_b 7.32071511
_cell_length_c 5.97619300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,874 | 4,364 | mp-5556 | -0.808341 | 0 | U(SiRh)2 | 0 | ['U', 'Si', 'Rh'] | # generated using pymatgen
data_U(SiRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80074466
_cell_length_b 5.80074466
_cell_length_c 5.80074466
_cell_angle_alpha 139.44878048
_cell_angle_beta 139.44878048
_cell_angle_gamma 58.69121104
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 139 | 139 | # generated using pymatgen
data_U(SiRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02033800
_cell_length_b 4.02033800
_cell_length_c 10.11277999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,875 | 15,206 | mp-1227441 | -0.415198 | 0 | BiSbPt | 0 | ['Bi', 'Pt', 'Sb'] | # generated using pymatgen
data_BiSbPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.70448600
_cell_length_b 6.70448600
_cell_length_c 6.70448600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 198 | 198 | # generated using pymatgen
data_BiSbPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.70448600
_cell_length_b 6.70448600
_cell_length_c 6.70448600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,876 | 17,987 | mp-977356 | -0.355093 | 0 | ZnGaIr2 | 0 | ['Zn', 'Ga', 'Ir'] | # generated using pymatgen
data_ZnGaIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30085113
_cell_length_b 4.30085113
_cell_length_c 4.30085113
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_ZnGaIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08232200
_cell_length_b 6.08232200
_cell_length_c 6.08232200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,877 | 5,354 | mp-3923 | -1.527826 | 0 | Th2MnN3 | 0 | ['Th', 'Mn', 'N'] | # generated using pymatgen
data_Th2MnN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.87387067
_cell_length_b 6.87387067
_cell_length_c 6.87387067
_cell_angle_alpha 150.09145506
_cell_angle_beta 147.40699361
_cell_angle_gamma 44.81871402
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 71 | 71 | # generated using pymatgen
data_Th2MnN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.54757800
_cell_length_b 3.85772800
_cell_length_c 12.70956400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,878 | 29,509 | mp-1018672 | -0.307104 | 0 | CoAs2 | 0.018686 | ['Co', 'As'] | # generated using pymatgen
data_CoAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.11832000
_cell_length_b 5.12413000
_cell_length_c 5.90666100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | 58 | 58 | # generated using pymatgen
data_CoAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.11832000
_cell_length_b 5.12413000
_cell_length_c 5.90666100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... |
24,879 | 11,956 | mp-865816 | -0.658216 | 0 | YbPd2Pb | 0 | ['Pb', 'Pd', 'Yb'] | # generated using pymatgen
data_YbPd2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84502071
_cell_length_b 4.84502071
_cell_length_c 4.84502071
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_YbPd2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.85189400
_cell_length_b 6.85189400
_cell_length_c 6.85189400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,880 | 39,435 | mp-756516 | -2.108084 | 0 | LiMnO2 | 0.051786 | ['Li', 'Mn', 'O'] | # generated using pymatgen
data_LiMnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95948263
_cell_length_b 5.95948263
_cell_length_c 5.91679459
_cell_angle_alpha 60.29294375
_cell_angle_beta 60.29294375
_cell_angle_gamma 59.59160903
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_LiMnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.34330001
_cell_length_b 5.92265800
_cell_length_c 5.91679459
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.82407303
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,881 | 24,118 | mp-1184253 | -0.342521 | 0 | ErTmAg2 | 0.006416 | ['Ag', 'Er', 'Tm'] | # generated using pymatgen
data_ErTmAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09527853
_cell_length_b 5.09527853
_cell_length_c 5.09527853
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_ErTmAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.20581200
_cell_length_b 7.20581200
_cell_length_c 7.20581200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,882 | 37,292 | mp-1247231 | -2.019165 | 0 | Lu3Mg2TiS8 | 0.042445 | ['Lu', 'Mg', 'S', 'Ti'] | # generated using pymatgen
data_Lu3Mg2TiS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.71433884
_cell_length_b 7.62490547
_cell_length_c 7.71377900
_cell_angle_alpha 59.61296959
_cell_angle_beta 60.00156876
_cell_angle_gamma 59.61957066
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 166 | 166 | # generated using pymatgen
data_Lu3Mg2TiS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.71401042
_cell_length_b 7.71401042
_cell_length_c 18.56798906
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,883 | 3,658 | mp-1209614 | -0.784092 | 0 | Pu4Sb3 | 0 | ['Pu', 'Sb'] | # generated using pymatgen
data_Pu4Sb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.05362922
_cell_length_b 8.05362922
_cell_length_c 8.05362922
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 220 | 220 | # generated using pymatgen
data_Pu4Sb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.29953000
_cell_length_b 9.29953000
_cell_length_c 9.29953000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,884 | 20,956 | mp-865358 | -0.357535 | 0 | DySnRu2 | 0.000636 | ['Dy', 'Ru', 'Sn'] | # generated using pymatgen
data_DySnRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67528680
_cell_length_b 4.67528680
_cell_length_c 4.67528680
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_DySnRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.61185400
_cell_length_b 6.61185400
_cell_length_c 6.61185400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,885 | 24,201 | mp-1217210 | -0.969955 | 0 | Ti2Te3 | 0.006075 | ['Te', 'Ti'] | # generated using pymatgen
data_Ti2Te3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.51505000
_cell_length_b 7.89739496
_cell_length_c 9.23829411
_cell_angle_alpha 90.93564945
_cell_angle_beta 104.74306294
_cell_angle_gamma 106.25440388
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 2 | 2 | # generated using pymatgen
data_Ti2Te3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.51505000
_cell_length_b 7.89739496
_cell_length_c 9.23829411
_cell_angle_alpha 90.93564945
_cell_angle_beta 104.74306294
_cell_angle_gamma 106.25440388
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,886 | 38,937 | mp-758901 | -2.44568 | 1.2487 | LiVO2 | 0.048101 | ['Li', 'O', 'V'] | # generated using pymatgen
data_LiVO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16166200
_cell_length_b 5.21547694
_cell_length_c 7.90439428
_cell_angle_alpha 71.09843051
_cell_angle_beta 71.10228306
_cell_angle_gamma 80.63913584
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | 2 | 2 | # generated using pymatgen
data_LiVO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16166200
_cell_length_b 5.21547694
_cell_length_c 7.90439428
_cell_angle_alpha 71.09843051
_cell_angle_beta 71.10228306
_cell_angle_gamma 80.63913584
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... |
24,887 | 25,377 | mp-568428 | -0.467076 | 6.2752 | KNa(BH4)2 | 0.008409 | ['K', 'Na', 'B', 'H'] | # generated using pymatgen
data_KNa(BH4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.85665097
_cell_length_b 7.85665097
_cell_length_c 7.85665091
_cell_angle_alpha 33.52023086
_cell_angle_beta 33.52023086
_cell_angle_gamma 33.52023579
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 148 | 148 | # generated using pymatgen
data_KNa(BH4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53117167
_cell_length_b 4.53117167
_cell_length_c 22.22494388
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,888 | 3,927 | mp-862665 | -0.440073 | 0 | AcGe3 | 0 | ['Ac', 'Ge'] | # generated using pymatgen
data_AcGe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.64453516
_cell_length_b 6.64453516
_cell_length_c 4.96804100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999162
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_AcGe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.64453516
_cell_length_b 6.64453516
_cell_length_c 4.96804100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,889 | 19,544 | mp-1079487 | -1.263641 | 1.553 | Nb(SBr)2 | 0 | ['Br', 'Nb', 'S'] | # generated using pymatgen
data_Nb(SBr)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.65786200
_cell_length_b 6.66074882
_cell_length_c 7.71116302
_cell_angle_alpha 90.27672206
_cell_angle_beta 111.84005091
_cell_angle_gamma 118.95092346
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 2 | 2 | # generated using pymatgen
data_Nb(SBr)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.65786200
_cell_length_b 6.66074882
_cell_length_c 7.71116302
_cell_angle_alpha 90.27672206
_cell_angle_beta 111.84005091
_cell_angle_gamma 118.95092346
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,890 | 23,871 | mp-568338 | -0.80069 | 0.052 | Sr2GeN2 | 0.005674 | ['Ge', 'N', 'Sr'] | # generated using pymatgen
data_Sr2GeN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.35369740
_cell_length_b 6.35369740
_cell_length_c 12.26659100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 129.06108177
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 64 | 64 | # generated using pymatgen
data_Sr2GeN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.46456000
_cell_length_b 11.47242200
_cell_length_c 12.26659100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,891 | 44,990 | mvc-14182 | -2.129445 | 1.0694 | ZnCuF4 | 0.078517 | ['Cu', 'F', 'Zn'] | # generated using pymatgen
data_ZnCuF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18277110
_cell_length_b 5.14502466
_cell_length_c 6.24056498
_cell_angle_alpha 114.31051323
_cell_angle_beta 114.77622034
_cell_angle_gamma 90.02123934
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 46 | 46 | # generated using pymatgen
data_ZnCuF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.14502466
_cell_length_b 5.18277110
_cell_length_c 10.09955734
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,892 | 26,436 | mp-7784 | -1.729221 | 3.1116 | SbAsO4 | 0.010423 | ['As', 'O', 'Sb'] | # generated using pymatgen
data_SbAsO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.10932900
_cell_length_b 4.94454200
_cell_length_c 5.66557491
_cell_angle_alpha 83.64958292
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 11 | 11 | # generated using pymatgen
data_SbAsO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94454200
_cell_length_b 7.10932900
_cell_length_c 5.66557491
_cell_angle_alpha 90.00000000
_cell_angle_beta 96.35041708
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,893 | 2,088 | mp-1105859 | -1.472189 | 0 | CsTi5Se8 | 0 | ['Cs', 'Se', 'Ti'] | # generated using pymatgen
data_CsTi5Se8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74860700
_cell_length_b 9.28065539
_cell_length_c 9.70354640
_cell_angle_alpha 104.45706228
_cell_angle_beta 101.13705118
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 12 | 12 | # generated using pymatgen
data_CsTi5Se8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 19.04161768
_cell_length_b 3.74860700
_cell_length_c 9.28065539
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.74076877
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,894 | 26,891 | mp-567747 | -0.026284 | 0 | Co7Mo6 | 0.011531 | ['Co', 'Mo'] | # generated using pymatgen
data_Co7Mo6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.94153852
_cell_length_b 8.94153852
_cell_length_c 8.94153861
_cell_angle_alpha 30.80521680
_cell_angle_beta 30.80521680
_cell_angle_gamma 30.80522079
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_Co7Mo6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74974571
_cell_length_b 4.74974571
_cell_length_c 25.53193597
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,895 | 9,115 | mp-1188143 | -0.568487 | 0 | Sm(BIr)4 | 0 | ['B', 'Ir', 'Sm'] | # generated using pymatgen
data_Sm(BIr)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.68556300
_cell_length_b 7.68556300
_cell_length_c 3.98656000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 86 | 86 | # generated using pymatgen
data_Sm(BIr)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.68556300
_cell_length_b 7.68556300
_cell_length_c 3.98656000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,896 | 21,701 | mp-1218353 | -3.680833 | 2.0847 | SrCaU2O8 | 0.001694 | ['Ca', 'O', 'Sr', 'U'] | # generated using pymatgen
data_SrCaU2O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.44045997
_cell_length_b 12.44045997
_cell_length_c 12.44046012
_cell_angle_alpha 18.09322201
_cell_angle_beta 18.09322201
_cell_angle_gamma 18.09322236
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 166 | 166 | # generated using pymatgen
data_SrCaU2O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91222395
_cell_length_b 3.91222395
_cell_length_c 36.70107520
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,897 | 22,282 | mp-1394 | -1.129995 | 1.3243 | Rb2O | 0.003173 | ['Rb', 'O'] | # generated using pymatgen
data_Rb2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.86290768
_cell_length_b 4.86290768
_cell_length_c 4.86290768
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Rb... | 225 | 225 | # generated using pymatgen
data_Rb2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.87718999
_cell_length_b 6.87718999
_cell_length_c 6.87718999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Rb... |
24,898 | 30,243 | mp-1225301 | -1.106532 | 1.0712 | DyAgTe2 | 0.01921 | ['Ag', 'Dy', 'Te'] | # generated using pymatgen
data_DyAgTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50443376
_cell_length_b 4.50443376
_cell_length_c 7.34198100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999652
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 156 | 156 | # generated using pymatgen
data_DyAgTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50443376
_cell_length_b 4.50443376
_cell_length_c 7.34198100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,899 | 26,393 | mp-643026 | -1.808709 | 5.2889 | SrH4(ClO)2 | 0.010579 | ['Cl', 'H', 'O', 'Sr'] | # generated using pymatgen
data_SrH4(ClO)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.74891208
_cell_length_b 6.74891208
_cell_length_c 6.72261559
_cell_angle_alpha 76.43090541
_cell_angle_beta 76.43090541
_cell_angle_gamma 57.22049519
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 15 | 15 | # generated using pymatgen
data_SrH4(ClO)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.84970400
_cell_length_b 6.46341800
_cell_length_c 6.72261559
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.50067329
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
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