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 |
|---|---|---|---|---|---|---|---|---|---|---|---|
26,900 | 15,986 | mp-977422 | -0.183908 | 0 | NpCdAu2 | 0 | ['Au', 'Cd', 'Np'] | # generated using pymatgen
data_NpCdAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01208742
_cell_length_b 5.01208742
_cell_length_c 5.01208742
_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_NpCdAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.08816201
_cell_length_b 7.08816201
_cell_length_c 7.08816201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,901 | 36,087 | mp-1176726 | -1.673909 | 0.0105 | LiFe3O4 | 0.039324 | ['Fe', 'Li', 'O'] | # generated using pymatgen
data_LiFe3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03141259
_cell_length_b 6.03141259
_cell_length_c 6.11147806
_cell_angle_alpha 59.70231966
_cell_angle_beta 59.70231966
_cell_angle_gamma 87.82211075
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_LiFe3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.69026800
_cell_length_b 8.36606200
_cell_length_c 6.11147806
_cell_angle_alpha 90.00000000
_cell_angle_beta 134.44934333
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,902 | 30,377 | mp-581990 | -0.142485 | 0 | Bi3Rh | 0.018761 | ['Bi', 'Rh'] | # generated using pymatgen
data_Bi3Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33119200
_cell_length_b 8.96464400
_cell_length_c 11.54035700
_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_Bi3Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33119200
_cell_length_b 8.96464400
_cell_length_c 11.54035700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,903 | 35,791 | mp-1291742 | -2.08497 | 0.4791 | Li3Mn4O8 | 0.037397 | ['Li', 'Mn', 'O'] | # generated using pymatgen
data_Li3Mn4O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31428106
_cell_length_b 6.07952873
_cell_length_c 5.74651462
_cell_angle_alpha 117.73609058
_cell_angle_beta 90.09086177
_cell_angle_gamma 110.28681232
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 8 | 8 | # generated using pymatgen
data_Li3Mn4O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.76234689
_cell_length_b 5.74651462
_cell_length_c 5.31428106
_cell_angle_alpha 90.00000000
_cell_angle_beta 113.11406788
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,904 | 13,871 | mp-574653 | -0.372921 | 5.5251 | Cs2LiIr(CN)6 | 0 | ['C', 'Cs', 'Ir', 'Li', 'N'] | # generated using pymatgen
data_Cs2LiIr(CN)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.67894913
_cell_length_b 7.67894913
_cell_length_c 7.67894913
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 225 | 225 | # generated using pymatgen
data_Cs2LiIr(CN)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.85967400
_cell_length_b 10.85967400
_cell_length_c 10.85967400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_stru... |
26,905 | 18,409 | mp-642844 | -1.693486 | 5.1253 | BaH5BrO3 | 0 | ['Ba', 'Br', 'H', 'O'] | # generated using pymatgen
data_BaH5BrO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64538200
_cell_length_b 4.64538200
_cell_length_c 11.87757300
_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_BaH5BrO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64538200
_cell_length_b 4.64538200
_cell_length_c 11.87757300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,906 | 2,149 | mp-1205481 | -1.52792 | 0 | Pr3(TaN3)2 | 0 | ['N', 'Pr', 'Ta'] | # generated using pymatgen
data_Pr3(TaN3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.43380390
_cell_length_b 10.43380390
_cell_length_c 10.43380390
_cell_angle_alpha 157.53064962
_cell_angle_beta 157.53064962
_cell_angle_gamma 31.98700927
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | 139 | 139 | # generated using pymatgen
data_Pr3(TaN3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06559400
_cell_length_b 4.06559400
_cell_length_c 20.05988400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,907 | 39,049 | mp-1097709 | -1.716594 | 3.588 | CsPb2Cl5 | 0.051445 | ['Cl', 'Cs', 'Pb'] | # generated using pymatgen
data_CsPb2Cl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78328500
_cell_length_b 7.98111836
_cell_length_c 8.97613147
_cell_angle_alpha 105.59870793
_cell_angle_beta 98.53242825
_cell_angle_gamma 109.43186824
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 1 | 1 | # generated using pymatgen
data_CsPb2Cl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78328500
_cell_length_b 7.98111836
_cell_length_c 8.97613147
_cell_angle_alpha 105.59870793
_cell_angle_beta 98.53242825
_cell_angle_gamma 109.43186824
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,908 | 30,031 | mp-1094574 | -0.03766 | 0 | LiMg2 | 0.019703 | ['Li', 'Mg'] | # generated using pymatgen
data_LiMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.39980005
_cell_length_b 8.39980005
_cell_length_c 5.13562500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 158.76425444
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_LiMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.09546000
_cell_length_b 16.51195600
_cell_length_c 5.13562500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,909 | 10,374 | mp-558243 | -2.647236 | 1.9111 | Ba2InClO3 | 0 | ['Ba', 'Cl', 'In', 'O'] | # generated using pymatgen
data_Ba2InClO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28799500
_cell_length_b 4.28799500
_cell_length_c 15.27099200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 129 | 129 | # generated using pymatgen
data_Ba2InClO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28799500
_cell_length_b 4.28799500
_cell_length_c 15.27099200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,910 | 7,292 | mp-27691 | -1.351254 | 1.3266 | K2PtBr6 | 0 | ['K', 'Pt', 'Br'] | # generated using pymatgen
data_K2PtBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.47484983
_cell_length_b 7.47484983
_cell_length_c 7.47484983
_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_K2PtBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.57103401
_cell_length_b 10.57103401
_cell_length_c 10.57103401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,911 | 42,811 | mp-20579 | -0.375169 | 0 | DyCoSn2 | 0.067161 | ['Co', 'Dy', 'Sn'] | # generated using pymatgen
data_DyCoSn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.52901715
_cell_length_b 9.52901715
_cell_length_c 4.42680400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 153.63551480
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_DyCoSn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.34616800
_cell_length_b 18.55584800
_cell_length_c 4.42680400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,912 | 28,758 | mp-1225994 | -0.534207 | 0 | CoTeSe | 0.015892 | ['Co', 'Se', 'Te'] | # generated using pymatgen
data_CoTeSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63490022
_cell_length_b 3.63490022
_cell_length_c 5.42393800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000409
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 156 | 156 | # generated using pymatgen
data_CoTeSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63490022
_cell_length_b 3.63490022
_cell_length_c 5.42393800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,913 | 39,252 | mp-1226161 | -2.103194 | 5.0329 | Cs2BrCl | 0.050729 | ['Br', 'Cl', 'Cs'] | # generated using pymatgen
data_Cs2BrCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.10094600
_cell_length_b 6.10094600
_cell_length_c 4.32046800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 123 | 123 | # generated using pymatgen
data_Cs2BrCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.10094600
_cell_length_b 6.10094600
_cell_length_c 4.32046800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,914 | 16,121 | mp-1189339 | -1.431435 | 0.8456 | Ba2InSbSe5 | 0 | ['Ba', 'In', 'Sb', 'Se'] | # generated using pymatgen
data_Ba2InSbSe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.93179405
_cell_length_b 9.93179405
_cell_length_c 13.38214400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 154.70601072
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 36 | 36 | # generated using pymatgen
data_Ba2InSbSe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.34900600
_cell_length_b 19.38164800
_cell_length_c 13.38214400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,915 | 12,210 | mp-12931 | -3.701277 | 3.9805 | SmTaO4 | 0 | ['Sm', 'Ta', 'O'] | # generated using pymatgen
data_SmTaO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.60712300
_cell_length_b 5.23516300
_cell_length_c 5.42793872
_cell_angle_alpha 83.19626320
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 13 | 13 | # generated using pymatgen
data_SmTaO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23516300
_cell_length_b 5.60712300
_cell_length_c 5.42793872
_cell_angle_alpha 90.00000000
_cell_angle_beta 96.80373680
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,916 | 43,476 | mp-978964 | 0.066384 | 0 | Th3Mg | 0.070732 | ['Th', 'Mg'] | # generated using pymatgen
data_Th3Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96419300
_cell_length_b 4.96419300
_cell_length_c 4.96419300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | 221 | 221 | # generated using pymatgen
data_Th3Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96419300
_cell_length_b 4.96419300
_cell_length_c 4.96419300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... |
26,917 | 21,976 | mp-974395 | -0.001398 | 0 | Pt3Rh | 0.002226 | ['Pt', 'Rh'] | # generated using pymatgen
data_Pt3Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94690700
_cell_length_b 3.94690700
_cell_length_c 3.94690700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | 221 | 221 | # generated using pymatgen
data_Pt3Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94690700
_cell_length_b 3.94690700
_cell_length_c 3.94690700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... |
26,918 | 3,094 | mp-1183552 | -0.313807 | 0 | CaPmAg2 | 0 | ['Ag', 'Ca', 'Pm'] | # generated using pymatgen
data_CaPmAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.25470707
_cell_length_b 5.25470707
_cell_length_c 5.25470707
_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_CaPmAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.43127800
_cell_length_b 7.43127800
_cell_length_c 7.43127800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,919 | 13,722 | mp-15227 | -1.160747 | 0 | NdPd3S4 | 0 | ['Nd', 'Pd', 'S'] | # generated using pymatgen
data_NdPd3S4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.76878100
_cell_length_b 6.76878100
_cell_length_c 6.76878100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 223 | 223 | # generated using pymatgen
data_NdPd3S4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.76878100
_cell_length_b 6.76878100
_cell_length_c 6.76878100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,920 | 42,040 | mp-1094625 | -0.071809 | 0 | Mg2Ga | 0.064978 | ['Ga', 'Mg'] | # generated using pymatgen
data_Mg2Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.77662828
_cell_length_b 5.77662828
_cell_length_c 5.77662877
_cell_angle_alpha 56.10226433
_cell_angle_beta 56.10226433
_cell_angle_gamma 56.10225526
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | 155 | 155 | # generated using pymatgen
data_Mg2Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43302652
_cell_length_b 5.43302652
_cell_length_c 14.55237398
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,921 | 13,169 | mp-1215551 | -0.495683 | 0 | YbZnGa | 0 | ['Ga', 'Yb', 'Zn'] | # generated using pymatgen
data_YbZnGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.69253567
_cell_length_b 5.69253567
_cell_length_c 7.19117634
_cell_angle_alpha 51.46530431
_cell_angle_beta 51.46530431
_cell_angle_gamma 46.70268445
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_YbZnGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.45253800
_cell_length_b 4.51268200
_cell_length_c 7.19117634
_cell_angle_alpha 90.00000000
_cell_angle_beta 132.73191694
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,922 | 1,581 | mp-1105197 | -3.79612 | 4.0373 | Cs2PaF7 | 0 | ['Cs', 'F', 'Pa'] | # generated using pymatgen
data_Cs2PaF7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.20922388
_cell_length_b 8.20922388
_cell_length_c 8.49343182
_cell_angle_alpha 61.26838835
_cell_angle_beta 61.26838835
_cell_angle_gamma 53.59742470
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_Cs2PaF7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.65503999
_cell_length_b 7.40238000
_cell_length_c 8.49343182
_cell_angle_alpha 90.00000000
_cell_angle_beta 122.58497183
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,923 | 8,776 | mp-20910 | -0.728474 | 0 | LaGe3Ir | 0 | ['Ge', 'Ir', 'La'] | # generated using pymatgen
data_LaGe3Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99668333
_cell_length_b 5.99668333
_cell_length_c 5.99668333
_cell_angle_alpha 136.17259895
_cell_angle_beta 136.17259895
_cell_angle_gamma 63.71360716
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 107 | 107 | # generated using pymatgen
data_LaGe3Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.47604000
_cell_length_b 4.47604000
_cell_length_c 10.18680400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,924 | 29,830 | mp-1662 | -0.35296 | 0 | Te2Au | 0.018284 | ['Au', 'Te'] | # generated using pymatgen
data_Te2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22738852
_cell_length_b 4.22738852
_cell_length_c 5.19256300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000814
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_Te2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22738852
_cell_length_b 4.22738852
_cell_length_c 5.19256300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,925 | 14,635 | mp-1206992 | -1.001347 | 0 | LuBiPt | 0 | ['Bi', 'Lu', 'Pt'] | # generated using pymatgen
data_LuBiPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.71442940
_cell_length_b 4.71442940
_cell_length_c 4.71442940
_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_LuBiPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.66721000
_cell_length_b 6.66721000
_cell_length_c 6.66721000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,926 | 16,094 | mp-11243 | -0.899673 | 0 | ErAu | 0 | ['Er', 'Au'] | # generated using pymatgen
data_ErAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.75398027
_cell_length_b 5.75398027
_cell_length_c 4.66132300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 142.46090772
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | 63 | 63 | # generated using pymatgen
data_ErAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.70283000
_cell_length_b 10.89597200
_cell_length_c 4.66132300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... |
26,927 | 21,414 | mp-625857 | -1.485902 | 2.9935 | Zn(HO)2 | 0.001464 | ['H', 'O', 'Zn'] | # generated using pymatgen
data_Zn(HO)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.80525000
_cell_length_b 4.79899800
_cell_length_c 5.05596201
_cell_angle_alpha 89.62375294
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 4 | 4 | # generated using pymatgen
data_Zn(HO)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79899800
_cell_length_b 8.80525000
_cell_length_c 5.05596201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.37624706
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,928 | 6,209 | mp-12492 | -1.254436 | 1.5415 | CsLuCdTe3 | 0 | ['Cd', 'Cs', 'Lu', 'Te'] | # generated using pymatgen
data_CsLuCdTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.97378162
_cell_length_b 8.97378162
_cell_length_c 11.78557200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 150.97937712
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 63 | 63 | # generated using pymatgen
data_CsLuCdTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49683800
_cell_length_b 17.37508199
_cell_length_c 11.78557200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,929 | 29,284 | mp-1246133 | -0.806015 | 0 | MgCrN2 | 0.016886 | ['Cr', 'Mg', 'N'] | # generated using pymatgen
data_MgCrN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65907100
_cell_length_b 6.54996500
_cell_length_c 5.14642900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 33 | 33 | # generated using pymatgen
data_MgCrN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.14642900
_cell_length_b 5.65907100
_cell_length_c 6.54996500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,930 | 25,532 | mp-1079113 | -3.500586 | 2.2733 | Ba2SrUO6 | 0.009001 | ['Ba', 'O', 'Sr', 'U'] | # generated using pymatgen
data_Ba2SrUO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.27733251
_cell_length_b 6.27733251
_cell_length_c 6.27733272
_cell_angle_alpha 61.23889599
_cell_angle_beta 61.23889599
_cell_angle_gamma 61.23889496
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 148 | 148 | # generated using pymatgen
data_Ba2SrUO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.39451210
_cell_length_b 6.39451210
_cell_length_c 15.23071839
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,931 | 34,047 | mp-1101675 | -0.947005 | 0 | NiPtO2 | 0.031886 | ['Ni', 'O', 'Pt'] | # generated using pymatgen
data_NiPtO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.92326900
_cell_length_b 6.31009697
_cell_length_c 2.92326148
_cell_angle_alpha 103.39610590
_cell_angle_beta 59.99916899
_cell_angle_gamma 103.39616758
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_NiPtO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.92324500
_cell_length_b 2.92324500
_cell_length_c 18.24031201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,932 | 12,101 | mp-1184088 | -0.367431 | 0 | Er2TlIn | 0 | ['Er', 'In', 'Tl'] | # generated using pymatgen
data_Er2TlIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30267578
_cell_length_b 5.30267578
_cell_length_c 5.30267578
_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_Er2TlIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.49911600
_cell_length_b 7.49911600
_cell_length_c 7.49911600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,933 | 1,843 | mp-505569 | -0.624972 | 0 | CeH2 | 0 | ['Ce', 'H'] | # generated using pymatgen
data_CeH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.85823906
_cell_length_b 3.85823906
_cell_length_c 3.85823906
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ce... | 225 | 225 | # generated using pymatgen
data_CeH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45637401
_cell_length_b 5.45637401
_cell_length_c 5.45637401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ce... |
26,934 | 33,160 | mp-1215451 | -0.874792 | 0.6857 | ZnCdSe2 | 0.028778 | ['Cd', 'Se', 'Zn'] | # generated using pymatgen
data_ZnCdSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22496852
_cell_length_b 4.22496852
_cell_length_c 6.92533400
_cell_angle_alpha 90.00010440
_cell_angle_beta 89.99989560
_cell_angle_gamma 119.99587401
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 156 | 156 | # generated using pymatgen
data_ZnCdSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22496852
_cell_length_b 4.22496852
_cell_length_c 6.92533400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,935 | 15,891 | mp-570887 | -0.847447 | 0.8472 | K2Ag2SnSe4 | 0 | ['Ag', 'K', 'Se', 'Sn'] | # generated using pymatgen
data_K2Ag2SnSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.01734900
_cell_length_b 7.69126700
_cell_length_c 12.47791974
_cell_angle_alpha 66.16747479
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 13 | 13 | # generated using pymatgen
data_K2Ag2SnSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.69126700
_cell_length_b 6.01734900
_cell_length_c 12.47791974
_cell_angle_alpha 90.00000000
_cell_angle_beta 113.83252521
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,936 | 36,341 | mp-472 | -0.159625 | 0 | UAl2 | 0.039422 | ['U', 'Al'] | # generated using pymatgen
data_UAl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45946822
_cell_length_b 5.45946822
_cell_length_c 5.45946822
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural UA... | 227 | 227 | # generated using pymatgen
data_UAl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.72085400
_cell_length_b 7.72085400
_cell_length_c 7.72085400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural UA... |
26,937 | 511 | mp-22779 | -0.987883 | 0 | YbSnPt | 0 | ['Yb', 'Sn', 'Pt'] | # generated using pymatgen
data_YbSnPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.49939425
_cell_length_b 7.49939425
_cell_length_c 4.06811200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000216
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_YbSnPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.49939425
_cell_length_b 7.49939425
_cell_length_c 4.06811200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,938 | 522 | mp-3055 | -0.652751 | 0 | NdB2Rh3 | 0 | ['Nd', 'B', 'Rh'] | # generated using pymatgen
data_NdB2Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51604107
_cell_length_b 5.51604107
_cell_length_c 3.12538100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001279
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 191 | 191 | # generated using pymatgen
data_NdB2Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51604107
_cell_length_b 5.51604107
_cell_length_c 3.12538100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,939 | 9,805 | mp-27624 | -2.699837 | 2.9105 | CaV2O6 | 0 | ['Ca', 'O', 'V'] | # generated using pymatgen
data_CaV2O6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.69811500
_cell_length_b 5.55490107
_cell_length_c 7.26699124
_cell_angle_alpha 102.04773577
_cell_angle_beta 90.00000000
_cell_angle_gamma 109.44303377
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_CaV2O6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.47624248
_cell_length_b 3.69811500
_cell_length_c 7.26699124
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.78830650
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,940 | 40,721 | mp-1223568 | -2.491465 | 0.198 | KCe(MoO4)2 | 0.057687 | ['Ce', 'K', 'Mo', 'O'] | # generated using pymatgen
data_KCe(MoO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.23513653
_cell_length_b 7.23513653
_cell_length_c 7.23513653
_cell_angle_alpha 135.64817880
_cell_angle_beta 135.64817880
_cell_angle_gamma 64.52472777
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 82 | 82 | # generated using pymatgen
data_KCe(MoO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.46182600
_cell_length_b 5.46182600
_cell_length_c 12.23624599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,941 | 24,828 | mp-2582 | -0.506549 | 0 | TiSi2 | 0.007506 | ['Ti', 'Si'] | # generated using pymatgen
data_TiSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95046852
_cell_length_b 4.91218733
_cell_length_c 4.77905391
_cell_angle_alpha 75.74538104
_cell_angle_beta 53.13927448
_cell_angle_gamma 51.11534448
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | 70 | 70 | # generated using pymatgen
data_TiSi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80850600
_cell_length_b 8.26049000
_cell_length_c 8.56718200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... |
26,942 | 32,673 | mp-1216518 | -2.328856 | 1.1107 | V3MoO6 | 0.026893 | ['Mo', 'O', 'V'] | # generated using pymatgen
data_V3MoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.63842749
_cell_length_b 5.63842749
_cell_length_c 5.63842756
_cell_angle_alpha 55.29750152
_cell_angle_beta 55.29750152
_cell_angle_gamma 55.29750766
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 146 | 146 | # generated using pymatgen
data_V3MoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23302375
_cell_length_b 5.23302375
_cell_length_c 14.28191770
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,943 | 1,736 | mp-1707 | -0.493834 | 3.8146 | BaN6 | 0 | ['Ba', 'N'] | # generated using pymatgen
data_BaN6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44218300
_cell_length_b 5.52777300
_cell_length_c 9.80652432
_cell_angle_alpha 80.93699727
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba... | 11 | 11 | # generated using pymatgen
data_BaN6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52777300
_cell_length_b 4.44218300
_cell_length_c 9.80652432
_cell_angle_alpha 90.00000000
_cell_angle_beta 99.06300273
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba... |
26,944 | 20,614 | mp-1188655 | -0.66688 | 0.781 | Ir2S3 | 0.000497 | ['Ir', 'S'] | # generated using pymatgen
data_Ir2S3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.06627000
_cell_length_b 6.19618900
_cell_length_c 8.55508200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural I... | 60 | 60 | # generated using pymatgen
data_Ir2S3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.06627000
_cell_length_b 6.19618900
_cell_length_c 8.55508200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural I... |
26,945 | 29,210 | mp-1219370 | -0.125746 | 0 | Sm(InCu)6 | 0.017159 | ['Cu', 'In', 'Sm'] | # generated using pymatgen
data_Sm(InCu)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.16312435
_cell_length_b 7.16312435
_cell_length_c 7.16312435
_cell_angle_alpha 136.19799771
_cell_angle_beta 98.71353768
_cell_angle_gamma 97.28295864
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 71 | 71 | # generated using pymatgen
data_Sm(InCu)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34374800
_cell_length_b 9.33135799
_cell_length_c 9.46633599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,946 | 21,127 | mp-1189835 | -0.729715 | 0 | Er3Pt | 0.001338 | ['Er', 'Pt'] | # generated using pymatgen
data_Er3Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.48642900
_cell_length_b 6.96676000
_cell_length_c 9.46786200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | 62 | 62 | # generated using pymatgen
data_Er3Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.48642900
_cell_length_b 6.96676000
_cell_length_c 9.46786200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... |
26,947 | 17,110 | mp-1186991 | -1.473446 | 1.7014 | ScI3 | 0 | ['I', 'Sc'] | # generated using pymatgen
data_ScI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.87008958
_cell_length_b 11.87008958
_cell_length_c 3.81531300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999766
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_ScI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.87008958
_cell_length_b 11.87008958
_cell_length_c 3.81531300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,948 | 34 | mp-1215514 | -0.65905 | 0 | YbMnCuP2 | 0 | ['Cu', 'Mn', 'P', 'Yb'] | # generated using pymatgen
data_YbMnCuP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89669760
_cell_length_b 3.89669760
_cell_length_c 6.52718100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999325
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 156 | 156 | # generated using pymatgen
data_YbMnCuP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89669760
_cell_length_b 3.89669760
_cell_length_c 6.52718100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,949 | 5,560 | mp-1095628 | -0.938655 | 0 | YSnPd | 0 | ['Pd', 'Sn', 'Y'] | # generated using pymatgen
data_YSnPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65769500
_cell_length_b 7.24537000
_cell_length_c 7.98939500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | 62 | 62 | # generated using pymatgen
data_YSnPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65769500
_cell_length_b 7.24537000
_cell_length_c 7.98939500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... |
26,950 | 25,893 | mp-557411 | -3.078062 | 0 | KRb2VF6 | 0.009521 | ['F', 'K', 'Rb', 'V'] | # generated using pymatgen
data_KRb2VF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.40618945
_cell_length_b 6.40618945
_cell_length_c 6.40618945
_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_KRb2VF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.05972000
_cell_length_b 9.05972000
_cell_length_c 9.05972000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,951 | 42,215 | mp-1221628 | 0.06564 | 0 | MnFe3 | 0.06564 | ['Fe', 'Mn'] | # generated using pymatgen
data_MnFe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47027620
_cell_length_b 2.47027620
_cell_length_c 7.82654100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000533
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 187 | 187 | # generated using pymatgen
data_MnFe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47027620
_cell_length_b 2.47027620
_cell_length_c 7.82654100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,952 | 11,467 | mp-9146 | -1.035585 | 0.4328 | CdHgO2 | 0 | ['Cd', 'Hg', 'O'] | # generated using pymatgen
data_CdHgO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.56753712
_cell_length_b 3.56753712
_cell_length_c 6.48421949
_cell_angle_alpha 78.13579403
_cell_angle_beta 78.13579403
_cell_angle_gamma 59.85586381
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_CdHgO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.18363800
_cell_length_b 3.55976200
_cell_length_c 6.48421949
_cell_angle_alpha 90.00000000
_cell_angle_beta 103.72287925
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,953 | 40,453 | mp-777051 | -2.673717 | 0 | V3(O2F)2 | 0.055064 | ['F', 'O', 'V'] | # generated using pymatgen
data_V3(O2F)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57891952
_cell_length_b 5.57891952
_cell_length_c 7.45347017
_cell_angle_alpha 71.03423249
_cell_angle_beta 71.03423249
_cell_angle_gamma 70.22405230
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_V3(O2F)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.12743600
_cell_length_b 6.41773200
_cell_length_c 7.45347017
_cell_angle_alpha 90.00000000
_cell_angle_beta 113.40951588
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,954 | 30,984 | mp-989632 | -0.592966 | 0.0132 | LaOsN3 | 0.020467 | ['La', 'N', 'Os'] | # generated using pymatgen
data_LaOsN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.24957700
_cell_length_b 4.84373800
_cell_length_c 7.21838499
_cell_angle_alpha 71.26044247
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 14 | 14 | # generated using pymatgen
data_LaOsN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84373800
_cell_length_b 10.24957700
_cell_length_c 7.21838499
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.73955753
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,955 | 21,563 | mp-1105348 | -2.192275 | 0 | La5Cu4P4(ClO2)2 | 0.001727 | ['Cl', 'Cu', 'La', 'O', 'P'] | # generated using pymatgen
data_La5Cu4P4(ClO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07651700
_cell_length_b 4.07651700
_cell_length_c 20.67873226
_cell_angle_alpha 95.65670638
_cell_angle_beta 95.65670638
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_str... | 139 | 139 | # generated using pymatgen
data_La5Cu4P4(ClO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07651700
_cell_length_b 4.07651700
_cell_length_c 40.95368001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_str... |
26,956 | 7,981 | mp-974434 | -1.984375 | 0.1869 | RuF4 | 0 | ['F', 'Ru'] | # generated using pymatgen
data_RuF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05548900
_cell_length_b 5.44646800
_cell_length_c 5.51845328
_cell_angle_alpha 62.90809723
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ru... | 14 | 14 | # generated using pymatgen
data_RuF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.44646800
_cell_length_b 5.05548900
_cell_length_c 5.51845328
_cell_angle_alpha 90.00000000
_cell_angle_beta 117.09190277
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural R... |
26,957 | 33,174 | mp-1216886 | -0.472237 | 0 | Tm4CoSn8 | 0.027634 | ['Co', 'Sn', 'Tm'] | # generated using pymatgen
data_Tm4CoSn8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41091600
_cell_length_b 4.40366800
_cell_length_c 16.60510200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 25 | 25 | # generated using pymatgen
data_Tm4CoSn8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40366800
_cell_length_b 4.41091600
_cell_length_c 16.60510200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,958 | 9,678 | mp-1214633 | -2.382829 | 0 | Ba2LiTeO6 | 0 | ['Ba', 'Li', 'O', 'Te'] | # generated using pymatgen
data_Ba2LiTeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89480700
_cell_length_b 5.89480700
_cell_length_c 5.89480700
_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_Ba2LiTeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.33651601
_cell_length_b 8.33651601
_cell_length_c 8.33651601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,959 | 30,653 | mp-1207677 | -0.204631 | 0 | U3(CuSi)4 | 0.020221 | ['Cu', 'Si', 'U'] | # generated using pymatgen
data_U3(CuSi)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94153000
_cell_length_b 3.99803700
_cell_length_c 12.16175393
_cell_angle_alpha 99.46059789
_cell_angle_beta 99.32568017
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 71 | 71 | # generated using pymatgen
data_U3(CuSi)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94153000
_cell_length_b 3.99803700
_cell_length_c 23.66670801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,960 | 2,944 | mp-862977 | -0.488034 | 0 | Pm2AgIr | 0 | ['Pm', 'Ag', 'Ir'] | # generated using pymatgen
data_Pm2AgIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10949986
_cell_length_b 5.10949986
_cell_length_c 5.10949986
_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_Pm2AgIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.22592400
_cell_length_b 7.22592400
_cell_length_c 7.22592400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,961 | 3,649 | mp-1207550 | -0.323515 | 0 | YbMgAg | 0 | ['Ag', 'Mg', 'Yb'] | # generated using pymatgen
data_YbMgAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43808200
_cell_length_b 7.55458600
_cell_length_c 8.83313200
_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_YbMgAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43808200
_cell_length_b 7.55458600
_cell_length_c 8.83313200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,962 | 10,774 | mp-27488 | -1.271592 | 1.2571 | Ta3N5 | 0 | ['Ta', 'N'] | # generated using pymatgen
data_Ta3N5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52077695
_cell_length_b 5.52077695
_cell_length_c 10.35710600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 138.57940296
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_Ta3N5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90476800
_cell_length_b 10.32805400
_cell_length_c 10.35710600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,963 | 42,119 | mp-1183704 | 0.065484 | 0 | CoRh3 | 0.065484 | ['Co', 'Rh'] | # generated using pymatgen
data_CoRh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.76639800
_cell_length_b 3.76639800
_cell_length_c 3.76639800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | 221 | 221 | # generated using pymatgen
data_CoRh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.76639800
_cell_length_b 3.76639800
_cell_length_c 3.76639800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... |
26,964 | 10,638 | mp-1210465 | -2.663927 | 2.7172 | Na3CoF6 | 0 | ['Co', 'F', 'Na'] | # generated using pymatgen
data_Na3CoF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62044811
_cell_length_b 5.79273800
_cell_length_c 7.95569961
_cell_angle_alpha 90.00000000
_cell_angle_beta 88.91471037
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 14 | 14 | # generated using pymatgen
data_Na3CoF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62044811
_cell_length_b 5.79273800
_cell_length_c 9.65343140
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.51438693
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,965 | 11,563 | mp-1104052 | -0.359876 | 0 | Pr9Ga4 | 0 | ['Ga', 'Pr'] | # generated using pymatgen
data_Pr9Ga4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.00219812
_cell_length_b 9.00219812
_cell_length_c 9.00219812
_cell_angle_alpha 94.86620714
_cell_angle_beta 94.86620714
_cell_angle_gamma 146.13383078
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 87 | 87 | # generated using pymatgen
data_Pr9Ga4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.17908400
_cell_length_b 12.17908400
_cell_length_c 5.24386400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,966 | 34,957 | mp-865806 | -0.35517 | 0 | LuGaCu2 | 0.032381 | ['Lu', 'Ga', 'Cu'] | # generated using pymatgen
data_LuGaCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48203593
_cell_length_b 4.48203593
_cell_length_c 4.48203593
_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_LuGaCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.33855600
_cell_length_b 6.33855600
_cell_length_c 6.33855600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,967 | 27,625 | mp-1187643 | -0.06378 | 0 | YbEuMg2 | 0.013559 | ['Eu', 'Mg', 'Yb'] | # generated using pymatgen
data_YbEuMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.60448734
_cell_length_b 5.60448734
_cell_length_c 5.60448734
_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_YbEuMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.92594201
_cell_length_b 7.92594201
_cell_length_c 7.92594201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,968 | 26,621 | mp-1186311 | -0.50679 | 0 | NdEuHg2 | 0.01103 | ['Eu', 'Hg', 'Nd'] | # generated using pymatgen
data_NdEuHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47490012
_cell_length_b 5.47490012
_cell_length_c 5.47490012
_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_NdEuHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.74267800
_cell_length_b 7.74267800
_cell_length_c 7.74267800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,969 | 24,292 | mp-12544 | -0.747814 | 0 | Ho3Pd2 | 0.006687 | ['Ho', 'Pd'] | # generated using pymatgen
data_Ho3Pd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.76949800
_cell_length_b 7.76949800
_cell_length_c 3.94206300
_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_Ho3Pd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.76949800
_cell_length_b 7.76949800
_cell_length_c 3.94206300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,970 | 19,040 | mp-1079320 | -1.992333 | 0.2471 | BaZnAsF | 0 | ['As', 'Ba', 'F', 'Zn'] | # generated using pymatgen
data_BaZnAsF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29923300
_cell_length_b 4.29923300
_cell_length_c 9.62169400
_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_BaZnAsF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29923300
_cell_length_b 4.29923300
_cell_length_c 9.62169400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,971 | 39,105 | mp-1147760 | -2.233238 | 0 | La2Cu(NF)2 | 0.049985 | ['Cu', 'F', 'La', 'N'] | # generated using pymatgen
data_La2Cu(NF)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.12875676
_cell_length_b 7.12875676
_cell_length_c 7.12875676
_cell_angle_alpha 147.05683415
_cell_angle_beta 147.05683415
_cell_angle_gamma 47.27963735
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 139 | 139 | # generated using pymatgen
data_La2Cu(NF)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04257200
_cell_length_b 4.04257200
_cell_length_c 13.06108399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,972 | 423 | mp-1213285 | -0.470712 | 0 | Er5CuPb3 | 0 | ['Cu', 'Er', 'Pb'] | # generated using pymatgen
data_Er5CuPb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.10317715
_cell_length_b 9.10317715
_cell_length_c 6.64551300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000836
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 193 | 193 | # generated using pymatgen
data_Er5CuPb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.10317715
_cell_length_b 9.10317715
_cell_length_c 6.64551300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,973 | 37,022 | mp-1038829 | -0.057314 | 0 | MgCd | 0.041617 | ['Mg', 'Cd'] | # generated using pymatgen
data_MgCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.22654890
_cell_length_b 3.22654890
_cell_length_c 4.88635200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99997751
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | 187 | 187 | # generated using pymatgen
data_MgCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.22654890
_cell_length_b 3.22654890
_cell_length_c 4.88635200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... |
26,974 | 4,812 | mp-27684 | -0.937602 | 1.1952 | Tl4O3 | 0 | ['O', 'Tl'] | # generated using pymatgen
data_Tl4O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55955900
_cell_length_b 7.94598300
_cell_length_c 11.34091271
_cell_angle_alpha 70.46765432
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 11 | 11 | # generated using pymatgen
data_Tl4O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.94598300
_cell_length_b 3.55955900
_cell_length_c 11.34091271
_cell_angle_alpha 90.00000000
_cell_angle_beta 109.53234568
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,975 | 12,563 | mp-1102948 | -0.477704 | 0 | GdNi4B | 0 | ['B', 'Gd', 'Ni'] | # generated using pymatgen
data_GdNi4B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00552851
_cell_length_b 5.00552851
_cell_length_c 6.96987900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000678
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 191 | 191 | # generated using pymatgen
data_GdNi4B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00552851
_cell_length_b 5.00552851
_cell_length_c 6.96987900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,976 | 20,971 | mp-973333 | -0.355292 | 0 | HoLuZn2 | 0.000535 | ['Ho', 'Lu', 'Zn'] | # generated using pymatgen
data_HoLuZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98409447
_cell_length_b 4.98409447
_cell_length_c 4.98409447
_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_HoLuZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.04857400
_cell_length_b 7.04857400
_cell_length_c 7.04857400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,977 | 9,226 | mp-18726 | -1.537096 | 1.9393 | CrNiO4 | 0 | ['Cr', 'Ni', 'O'] | # generated using pymatgen
data_CrNiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02065489
_cell_length_b 6.29715600
_cell_length_c 5.02065482
_cell_angle_alpha 90.00000000
_cell_angle_beta 113.18558184
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_CrNiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52860232
_cell_length_b 8.38227040
_cell_length_c 6.29715600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,978 | 20,541 | mp-1095627 | -0.670413 | 0 | ThVB4 | 0.000402 | ['B', 'Th', 'V'] | # generated using pymatgen
data_ThVB4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08782701
_cell_length_b 6.08782701
_cell_length_c 3.66969200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 104.35385235
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 65 | 65 | # generated using pymatgen
data_ThVB4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.46641800
_cell_length_b 9.61764800
_cell_length_c 3.66969200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... |
26,979 | 748 | mp-6459 | -2.572642 | 5.0311 | CaMg(CO3)2 | 0 | ['Ca', 'Mg', 'C', 'O'] | # generated using pymatgen
data_CaMg(CO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08540960
_cell_length_b 6.08540960
_cell_length_c 6.08540914
_cell_angle_alpha 47.19625989
_cell_angle_beta 47.19625989
_cell_angle_gamma 47.19626319
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 148 | 148 | # generated using pymatgen
data_CaMg(CO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87221174
_cell_length_b 4.87221174
_cell_length_c 16.18871625
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,980 | 14,888 | mp-569095 | -0.319146 | 0 | Rb3Bi | 0 | ['Bi', 'Rb'] | # generated using pymatgen
data_Rb3Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.53884262
_cell_length_b 6.53884262
_cell_length_c 11.59241700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000628
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_Rb3Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.53884262
_cell_length_b 6.53884262
_cell_length_c 11.59241700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,981 | 22,425 | mp-7029 | -3.264272 | 5.5081 | SiO2 | 0.002908 | ['O', 'Si'] | # generated using pymatgen
data_SiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08437100
_cell_length_b 5.08437100
_cell_length_c 7.09779800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Si... | 96 | 96 | # generated using pymatgen
data_SiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08437100
_cell_length_b 5.08437100
_cell_length_c 7.09779800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Si... |
26,982 | 682 | mp-867807 | -0.325648 | 0 | LiYTl2 | 0 | ['Li', 'Y', 'Tl'] | # generated using pymatgen
data_LiYTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20876068
_cell_length_b 5.20876068
_cell_length_c 5.20876068
_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_LiYTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.36630000
_cell_length_b 7.36630000
_cell_length_c 7.36630000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,983 | 11,448 | mp-865170 | -0.42949 | 0 | GaFeRh2 | 0 | ['Ga', 'Fe', 'Rh'] | # generated using pymatgen
data_GaFeRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27567389
_cell_length_b 4.27567389
_cell_length_c 4.27567389
_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_GaFeRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.04671600
_cell_length_b 6.04671600
_cell_length_c 6.04671600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,984 | 8,848 | mp-31471 | -0.322375 | 0 | K3PbAu5 | 0 | ['Au', 'K', 'Pb'] | # generated using pymatgen
data_K3PbAu5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.28352437
_cell_length_b 11.28352437
_cell_length_c 11.28352437
_cell_angle_alpha 150.36473022
_cell_angle_beta 135.03451217
_cell_angle_gamma 54.77959546
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 74 | 74 | # generated using pymatgen
data_K3PbAu5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.77137200
_cell_length_b 8.62975600
_cell_length_c 20.03722200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,985 | 9,659 | mp-1208359 | -0.765522 | 0 | TbSiNi | 0 | ['Ni', 'Si', 'Tb'] | # generated using pymatgen
data_TbSiNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19746500
_cell_length_b 6.94098400
_cell_length_c 7.18721100
_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_TbSiNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19746500
_cell_length_b 6.94098400
_cell_length_c 7.18721100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,986 | 40,588 | mp-1113402 | -2.366653 | 4.1402 | CsRb2ScCl6 | 0.057467 | ['Cl', 'Cs', 'Rb', 'Sc'] | # generated using pymatgen
data_CsRb2ScCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.11936917
_cell_length_b 8.11936917
_cell_length_c 8.11936917
_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_CsRb2ScCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.48252200
_cell_length_b 11.48252200
_cell_length_c 11.48252200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
26,987 | 32,006 | mp-1025024 | -0.706154 | 0 | LuB2Rh3 | 0.024256 | ['B', 'Lu', 'Rh'] | # generated using pymatgen
data_LuB2Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40381469
_cell_length_b 5.40381469
_cell_length_c 3.11880400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000847
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 191 | 191 | # generated using pymatgen
data_LuB2Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40381469
_cell_length_b 5.40381469
_cell_length_c 3.11880400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,988 | 31,306 | mp-1303315 | -2.616268 | 2.0001 | Mg2VWO6 | 0.021615 | ['Mg', 'O', 'V', 'W'] | # generated using pymatgen
data_Mg2VWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20531344
_cell_length_b 5.55136273
_cell_length_c 9.03442728
_cell_angle_alpha 74.62706146
_cell_angle_beta 90.95135868
_cell_angle_gamma 62.58621971
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 1 | 1 | # generated using pymatgen
data_Mg2VWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17577363
_cell_length_b 5.20531344
_cell_length_c 5.55136273
_cell_angle_alpha 62.58621971
_cell_angle_beta 62.42624112
_cell_angle_gamma 60.76697636
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,989 | 3,282 | mp-22115 | -1.070821 | 0 | TbSbRh | 0 | ['Rh', 'Sb', 'Tb'] | # generated using pymatgen
data_TbSbRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57451200
_cell_length_b 7.20177900
_cell_length_c 7.88180600
_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_TbSbRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57451200
_cell_length_b 7.20177900
_cell_length_c 7.88180600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,990 | 28,886 | mp-569927 | -0.270743 | 0 | ErZn5 | 0.015621 | ['Er', 'Zn'] | # generated using pymatgen
data_ErZn5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27636464
_cell_length_b 5.27636464
_cell_length_c 4.23252300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000800
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 191 | 191 | # generated using pymatgen
data_ErZn5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27636464
_cell_length_b 5.27636464
_cell_length_c 4.23252300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,991 | 10,875 | mp-625147 | -2.937423 | 3.108 | GdHO2 | 0 | ['Gd', 'H', 'O'] | # generated using pymatgen
data_GdHO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74545200
_cell_length_b 4.39100700
_cell_length_c 6.13235574
_cell_angle_alpha 70.71871731
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... | 11 | 11 | # generated using pymatgen
data_GdHO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39100700
_cell_length_b 3.74545200
_cell_length_c 6.13235574
_cell_angle_alpha 90.00000000
_cell_angle_beta 109.28128269
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,992 | 34,742 | mp-1224792 | -0.657112 | 0 | GaAgSe2 | 0.033518 | ['Ag', 'Ga', 'Se'] | # generated using pymatgen
data_GaAgSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03771600
_cell_length_b 4.03771600
_cell_length_c 6.33691900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 115 | 115 | # generated using pymatgen
data_GaAgSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03771600
_cell_length_b 4.03771600
_cell_length_c 6.33691900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,993 | 34,778 | mp-1246770 | -1.268159 | 0.2758 | Mg(VS2)4 | 0.033331 | ['Mg', 'S', 'V'] | # generated using pymatgen
data_Mg(VS2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.98482147
_cell_length_b 6.98526893
_cell_length_c 6.98412435
_cell_angle_alpha 59.98707375
_cell_angle_beta 60.02653605
_cell_angle_gamma 60.00951869
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 216 | 216 | # generated using pymatgen
data_Mg(VS2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.87848689
_cell_length_b 9.87848689
_cell_length_c 9.87848689
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,994 | 43,017 | mp-1030353 | -0.593628 | 0.314 | Te3MoWS | 0.070021 | ['Mo', 'S', 'Te', 'W'] | # generated using pymatgen
data_Te3MoWS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.45138467
_cell_length_b 3.45138467
_cell_length_c 39.39430500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001291
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 156 | 156 | # generated using pymatgen
data_Te3MoWS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.45138467
_cell_length_b 3.45138467
_cell_length_c 39.39430500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,995 | 44,216 | mp-1222481 | -2.467226 | 0 | LiCe(MoO4)2 | 0.075824 | ['Ce', 'Li', 'Mo', 'O'] | # generated using pymatgen
data_LiCe(MoO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.85577697
_cell_length_b 6.85577697
_cell_length_c 6.85577697
_cell_angle_alpha 134.42346877
_cell_angle_beta 134.42346877
_cell_angle_gamma 66.42733083
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 82 | 82 | # generated using pymatgen
data_LiCe(MoO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31085200
_cell_length_b 5.31085200
_cell_length_c 11.47154800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,996 | 22,328 | mp-27381 | -1.180802 | 2.0701 | CsSnI3 | 0.003249 | ['Cs', 'Sn', 'I'] | # generated using pymatgen
data_CsSnI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83229000
_cell_length_b 10.76502600
_cell_length_c 18.14727700
_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_CsSnI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83229000
_cell_length_b 10.76502600
_cell_length_c 18.14727700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,997 | 34,705 | mp-1218261 | -2.752352 | 0 | SrHoMn2O6 | 0.033252 | ['Ho', 'Mn', 'O', 'Sr'] | # generated using pymatgen
data_SrHoMn2O6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.44771800
_cell_length_b 5.57790900
_cell_length_c 7.66150200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 31 | 31 | # generated using pymatgen
data_SrHoMn2O6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.44771800
_cell_length_b 5.57790900
_cell_length_c 7.66150200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,998 | 40,327 | mp-28056 | -0.667031 | 0 | P2Rh3 | 0.055781 | ['P', 'Rh'] | # generated using pymatgen
data_P2Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.36588200
_cell_length_b 3.36588200
_cell_length_c 6.28566600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | 115 | 115 | # generated using pymatgen
data_P2Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.36588200
_cell_length_b 3.36588200
_cell_length_c 6.28566600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... |
26,999 | 18,956 | mp-865841 | -0.94725 | 0 | YbPaPt2 | 0 | ['Yb', 'Pa', 'Pt'] | # generated using pymatgen
data_YbPaPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92473993
_cell_length_b 4.92473993
_cell_length_c 4.92473993
_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_YbPaPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.96463400
_cell_length_b 6.96463400
_cell_length_c 6.96463400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
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