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 |
|---|---|---|---|---|---|---|---|---|---|---|---|
200 | 39,424 | mp-755568 | -1.91439 | 3.0727 | GaBiO3 | 0.051113 | ['Ga', 'Bi', 'O'] | # generated using pymatgen
data_GaBiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64157234
_cell_length_b 5.64157234
_cell_length_c 5.64157261
_cell_angle_alpha 59.33723539
_cell_angle_beta 59.33723539
_cell_angle_gamma 59.33722595
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 161 | 161 | # generated using pymatgen
data_GaBiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58496247
_cell_length_b 5.58496247
_cell_length_c 13.88778718
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
201 | 34,550 | mp-1096882 | -0.548073 | 0 | Cr3N2 | 0.032212 | ['Cr', 'N'] | # generated using pymatgen
data_Cr3N2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48768064
_cell_length_b 5.48768064
_cell_length_c 5.48768050
_cell_angle_alpha 50.95083713
_cell_angle_beta 50.95083713
_cell_angle_gamma 50.95083296
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | 167 | 167 | # generated using pymatgen
data_Cr3N2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72076415
_cell_length_b 4.72076415
_cell_length_c 14.28897830
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
202 | 29,088 | mp-1183305 | -0.515338 | 0 | BaSrHg2 | 0.016308 | ['Ba', 'Hg', 'Sr'] | # generated using pymatgen
data_BaSrHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83723860
_cell_length_b 5.83723860
_cell_length_c 5.83723860
_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_BaSrHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.25510199
_cell_length_b 8.25510199
_cell_length_c 8.25510199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
203 | 9,170 | mp-1221656 | -0.468009 | 0 | MnAl2Ni | 0 | ['Al', 'Mn', 'Ni'] | # generated using pymatgen
data_MnAl2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.80449500
_cell_length_b 2.80449500
_cell_length_c 6.40694500
_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_MnAl2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.80449500
_cell_length_b 2.80449500
_cell_length_c 6.40694500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
204 | 41,366 | mp-632286 | 0.058885 | 0 | Sb | 0.058885 | ['Sb'] | # generated using pymatgen
data_Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.34376400
_cell_length_b 3.16464100
_cell_length_c 4.40773884
_cell_angle_alpha 88.34043171
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sb
_... | 11 | 11 | # generated using pymatgen
data_Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.16464100
_cell_length_b 4.34376400
_cell_length_c 4.40773884
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.65956829
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sb
_... |
205 | 25,186 | mp-1216765 | -0.135247 | 0 | V2Co9W | 0.007859 | ['Co', 'V', 'W'] | # generated using pymatgen
data_V2Co9W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.73741210
_cell_length_b 6.73741210
_cell_length_c 6.73741222
_cell_angle_alpha 43.69409715
_cell_angle_beta 43.69409715
_cell_angle_gamma 43.69409535
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 160 | 160 | # generated using pymatgen
data_V2Co9W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01438812
_cell_length_b 5.01438812
_cell_length_c 18.25108860
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
206 | 9,605 | mp-1185750 | -0.234271 | 0 | Mg2AgHg | 0 | ['Ag', 'Hg', 'Mg'] | # generated using pymatgen
data_Mg2AgHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81793145
_cell_length_b 4.81793145
_cell_length_c 4.81793145
_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_Mg2AgHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.81358400
_cell_length_b 6.81358400
_cell_length_c 6.81358400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
207 | 38,215 | mp-1222453 | -3.135026 | 0.0002 | LiLa4CuO8 | 0.046671 | ['Cu', 'La', 'Li', 'O'] | # generated using pymatgen
data_LiLa4CuO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.03221085
_cell_length_b 7.03221085
_cell_length_c 7.56149593
_cell_angle_alpha 74.43248294
_cell_angle_beta 74.43248294
_cell_angle_gamma 31.48770029
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 12 | 12 | # generated using pymatgen
data_LiLa4CuO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.53678600
_cell_length_b 3.81620000
_cell_length_c 7.56149593
_cell_angle_alpha 90.00000000
_cell_angle_beta 106.19064895
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
208 | 45,023 | mp-1095673 | -0.337199 | 0 | CrCoSi | 0.079815 | ['Co', 'Cr', 'Si'] | # generated using pymatgen
data_CrCoSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.60066500
_cell_length_b 5.75563000
_cell_length_c 6.71716100
_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_CrCoSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.60066500
_cell_length_b 5.75563000
_cell_length_c 6.71716100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
209 | 37,229 | mp-1221275 | -0.278449 | 0 | Na2Zn3GeAs4 | 0.042602 | ['As', 'Ge', 'Na', 'Zn'] | # generated using pymatgen
data_Na2Zn3GeAs4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.58291030
_cell_length_b 8.58291030
_cell_length_c 7.17896092
_cell_angle_alpha 65.50587103
_cell_angle_beta 65.50587103
_cell_angle_gamma 27.85161106
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 8 | 8 | # generated using pymatgen
data_Na2Zn3GeAs4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 16.66128600
_cell_length_b 4.13121600
_cell_length_c 7.17896092
_cell_angle_alpha 90.00000000
_cell_angle_beta 115.28713504
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
210 | 44,063 | mp-1103567 | -0.652526 | 0 | Zr4NiP | 0.074203 | ['Ni', 'P', 'Zr'] | # generated using pymatgen
data_Zr4NiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.48255900
_cell_length_b 6.48255900
_cell_length_c 5.35538400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 124 | 124 | # generated using pymatgen
data_Zr4NiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.48255900
_cell_length_b 6.48255900
_cell_length_c 5.35538400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
211 | 24,755 | mp-1227325 | -2.685521 | 1.9918 | BaSrMgTeO6 | 0.007189 | ['Ba', 'Mg', 'O', 'Sr', 'Te'] | # generated using pymatgen
data_BaSrMgTeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.74800880
_cell_length_b 5.74800880
_cell_length_c 5.74800880
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 216 | 216 | # generated using pymatgen
data_BaSrMgTeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.12891200
_cell_length_b 8.12891200
_cell_length_c 8.12891200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
212 | 4,403 | mp-6732 | -2.94292 | 0 | La2MgIrO6 | 0 | ['Ir', 'La', 'Mg', 'O'] | # generated using pymatgen
data_La2MgIrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71753800
_cell_length_b 5.59841100
_cell_length_c 9.72872952
_cell_angle_alpha 54.94272960
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 14 | 14 | # generated using pymatgen
data_La2MgIrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.59841100
_cell_length_b 5.71753800
_cell_length_c 9.72872952
_cell_angle_alpha 90.00000000
_cell_angle_beta 125.05727040
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
213 | 34,938 | mp-768221 | -2.773301 | 3.1467 | YBiO3 | 0.033022 | ['Bi', 'O', 'Y'] | # generated using pymatgen
data_YBiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.16586678
_cell_length_b 6.16586678
_cell_length_c 6.16586669
_cell_angle_alpha 58.51184125
_cell_angle_beta 58.51184125
_cell_angle_gamma 58.51183334
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | 161 | 161 | # generated using pymatgen
data_YBiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02665835
_cell_length_b 6.02665835
_cell_length_c 15.27086697
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
214 | 37,824 | mp-21419 | 0.018563 | 0 | CeMg2 | 0.043637 | ['Ce', 'Mg'] | # generated using pymatgen
data_CeMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.09889781
_cell_length_b 6.09889781
_cell_length_c 6.09889781
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | 227 | 227 | # generated using pymatgen
data_CeMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.62514400
_cell_length_b 8.62514400
_cell_length_c 8.62514400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... |
215 | 30,572 | mp-11258 | -0.85406 | 0 | TbAu | 0.020839 | ['Au', 'Tb'] | # generated using pymatgen
data_TbAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.62207500
_cell_length_b 3.62207500
_cell_length_c 3.62207500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb... | 221 | 221 | # generated using pymatgen
data_TbAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.62207500
_cell_length_b 3.62207500
_cell_length_c 3.62207500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb... |
216 | 44,458 | mp-850956 | -2.06195 | 0.0755 | Li2Mn3Cr3O12 | 0.074943 | ['Cr', 'Li', 'Mn', 'O'] | # generated using pymatgen
data_Li2Mn3Cr3O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.80314500
_cell_length_b 5.11705400
_cell_length_c 5.25815481
_cell_angle_alpha 70.90137648
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 10 | 10 | # generated using pymatgen
data_Li2Mn3Cr3O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11705400
_cell_length_b 8.80314500
_cell_length_c 5.25815481
_cell_angle_alpha 90.00000000
_cell_angle_beta 109.09862352
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
217 | 43,961 | mp-849731 | -2.740893 | 1.3877 | LiTiV2O6 | 0.072045 | ['Li', 'O', 'Ti', 'V'] | # generated using pymatgen
data_LiTiV2O6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.02463457
_cell_length_b 12.54719310
_cell_length_c 6.02511660
_cell_angle_alpha 102.82076524
_cell_angle_beta 89.97221962
_cell_angle_gamma 90.01686328
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 8 | 8 | # generated using pymatgen
data_LiTiV2O6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.54719310
_cell_length_b 3.02463457
_cell_length_c 6.02511660
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.82076524
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
218 | 18,848 | mp-559847 | -0.548182 | 1.2689 | Ag5P(S2Cl)2 | 0 | ['Ag', 'P', 'S', 'Cl'] | # generated using pymatgen
data_Ag5P(S2Cl)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.45252596
_cell_length_b 6.45252596
_cell_length_c 7.48753600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 121.21661694
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 38 | 38 | # generated using pymatgen
data_Ag5P(S2Cl)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.33350800
_cell_length_b 11.24397801
_cell_length_c 7.48753600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
219 | 34,063 | mp-1106203 | -0.640792 | 0.2712 | Ce(Tl3Te2)3 | 0.031282 | ['Ce', 'Te', 'Tl'] | # generated using pymatgen
data_Ce(Tl3Te2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.07549600
_cell_length_b 9.07549600
_cell_length_c 9.37207720
_cell_angle_alpha 118.95859564
_cell_angle_beta 118.95858866
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 87 | 87 | # generated using pymatgen
data_Ce(Tl3Te2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.07549600
_cell_length_b 9.07549600
_cell_length_c 13.66067600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
220 | 22,923 | mp-754382 | 0.003787 | 16.5964 | He | 0.003787 | ['He'] | # generated using pymatgen
data_He
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.71543415
_cell_length_b 2.71543415
_cell_length_c 2.47123400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000367
_symmetry_Int_Tables_number 1
_chemical_formula_structural He
... | 191 | 191 | # generated using pymatgen
data_He
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.71543415
_cell_length_b 2.71543415
_cell_length_c 2.47123400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural He
... |
221 | 41,355 | mp-560262 | -0.848908 | 0.1306 | Zn(InS2)2 | 0.059375 | ['In', 'S', 'Zn'] | # generated using pymatgen
data_Zn(InS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92475875
_cell_length_b 3.92475875
_cell_length_c 25.30956600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001268
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 186 | 186 | # generated using pymatgen
data_Zn(InS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92475875
_cell_length_b 3.92475875
_cell_length_c 25.30956600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
222 | 4,779 | mp-21521 | -1.540856 | 1.6807 | Cs2PbO3 | 0 | ['Cs', 'Pb', 'O'] | # generated using pymatgen
data_Cs2PbO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.02035996
_cell_length_b 7.02035996
_cell_length_c 6.21160200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 111.50227445
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 36 | 36 | # generated using pymatgen
data_Cs2PbO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.90195600
_cell_length_b 11.60607200
_cell_length_c 6.21160200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
223 | 44,501 | mp-1018020 | -0.363437 | 0 | NiAgSe2 | 0.077254 | ['Ni', 'Ag', 'Se'] | # generated using pymatgen
data_NiAgSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.23260319
_cell_length_b 7.23260319
_cell_length_c 7.23260333
_cell_angle_alpha 29.15958771
_cell_angle_beta 29.15958771
_cell_angle_gamma 29.15958416
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 160 | 160 | # generated using pymatgen
data_NiAgSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.64129824
_cell_length_b 3.64129824
_cell_length_c 20.76096785
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
224 | 9,880 | mp-570558 | -2.021577 | 0 | Rb2NbCl6 | 0 | ['Rb', 'Nb', 'Cl'] | # generated using pymatgen
data_Rb2NbCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.25515689
_cell_length_b 7.25515689
_cell_length_c 7.25515689
_cell_angle_alpha 118.97844984
_cell_angle_beta 118.97844984
_cell_angle_gamma 91.77867529
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 139 | 139 | # generated using pymatgen
data_Rb2NbCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.36689200
_cell_length_b 7.36689200
_cell_length_c 10.09985200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
225 | 43,730 | mp-1227213 | -0.120881 | 0 | Ce4UC10 | 0.072775 | ['C', 'Ce', 'U'] | # generated using pymatgen
data_Ce4UC10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.73153400
_cell_length_b 6.23027500
_cell_length_c 9.95741253
_cell_angle_alpha 108.23082958
_cell_angle_beta 100.79960723
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 71 | 71 | # generated using pymatgen
data_Ce4UC10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.73153400
_cell_length_b 6.23027500
_cell_length_c 18.54345200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
226 | 25,998 | mvc-16572 | -2.609684 | 1.1044 | CaMoO3 | 0.009695 | ['Ca', 'Mo', 'O'] | # generated using pymatgen
data_CaMoO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50477500
_cell_length_b 5.73031556
_cell_length_c 7.98621926
_cell_angle_alpha 89.80294805
_cell_angle_beta 89.89011788
_cell_angle_gamma 89.27278409
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 2 | 2 | # generated using pymatgen
data_CaMoO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50477500
_cell_length_b 5.73031556
_cell_length_c 7.98621926
_cell_angle_alpha 89.80294805
_cell_angle_beta 89.89011788
_cell_angle_gamma 89.27278409
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
227 | 3,937 | mp-864657 | -1.645124 | 2.2173 | HoI3 | 0 | ['Ho', 'I'] | # generated using pymatgen
data_HoI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.75706751
_cell_length_b 11.75706751
_cell_length_c 3.97806700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999726
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_HoI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.75706751
_cell_length_b 11.75706751
_cell_length_c 3.97806700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
228 | 11,453 | mp-865730 | -0.350654 | 0 | TiZnAu2 | 0 | ['Ti', 'Zn', 'Au'] | # generated using pymatgen
data_TiZnAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.55869621
_cell_length_b 4.55869621
_cell_length_c 4.55869621
_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_TiZnAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44697001
_cell_length_b 6.44697001
_cell_length_c 6.44697001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
229 | 29,082 | mp-1177618 | -2.306694 | 1.7173 | Li3MnCr3O8 | 0.017146 | ['Cr', 'Li', 'Mn', 'O'] | # generated using pymatgen
data_Li3MnCr3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.32100753
_cell_length_b 10.32099945
_cell_length_c 14.60925249
_cell_angle_alpha 19.32594088
_cell_angle_beta 19.32589881
_cell_angle_gamma 33.30940721
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 166 | 166 | # generated using pymatgen
data_Li3MnCr3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.91607542
_cell_length_b 5.91607542
_cell_length_c 14.60925249
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
230 | 29,165 | mp-1211294 | -1.024994 | 0 | La3NbSb5 | 0.016649 | ['La', 'Nb', 'Sb'] | # generated using pymatgen
data_La3NbSb5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.57406071
_cell_length_b 9.57406071
_cell_length_c 6.32487400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000492
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 193 | 193 | # generated using pymatgen
data_La3NbSb5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.57406071
_cell_length_b 9.57406071
_cell_length_c 6.32487400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
231 | 32,367 | mp-37045 | -2.308335 | 0 | Ce2SmS4 | 0.025088 | ['Ce', 'S', 'Sm'] | # generated using pymatgen
data_Ce2SmS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38780885
_cell_length_b 7.38780885
_cell_length_c 7.38780885
_cell_angle_alpha 109.69740010
_cell_angle_beta 109.69740010
_cell_angle_gamma 109.01980260
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 122 | 122 | # generated using pymatgen
data_Ce2SmS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.50687800
_cell_length_b 8.50687800
_cell_length_c 8.57816600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
232 | 44,381 | mp-753776 | -1.121876 | 0 | Li4SbS4 | 0.073375 | ['Li', 'S', 'Sb'] | # generated using pymatgen
data_Li4SbS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.89020178
_cell_length_b 6.89020178
_cell_length_c 8.00181700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 97.97963869
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_Li4SbS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.04260601
_cell_length_b 10.39859601
_cell_length_c 8.00181700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
233 | 10,712 | mp-1668 | -0.811231 | 0 | YbAu2 | 0 | ['Au', 'Yb'] | # generated using pymatgen
data_YbAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26092122
_cell_length_b 5.26092122
_cell_length_c 5.26092122
_cell_angle_alpha 138.24349259
_cell_angle_beta 138.24349259
_cell_angle_gamma 60.53028239
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_YbAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74981000
_cell_length_b 3.74981000
_cell_length_c 9.08774000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... |
234 | 19,464 | mp-867270 | -0.591862 | 0 | Be2CoPt | 0 | ['Be', 'Co', 'Pt'] | # generated using pymatgen
data_Be2CoPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.85567650
_cell_length_b 3.85567650
_cell_length_c 3.85567650
_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_Be2CoPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45275000
_cell_length_b 5.45275000
_cell_length_c 5.45275000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
235 | 18,238 | mp-16180 | -2.153975 | 3.1257 | Na6S2O9 | 0 | ['Na', 'O', 'S'] | # generated using pymatgen
data_Na6S2O9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.91765534
_cell_length_b 6.91765534
_cell_length_c 6.91765534
_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_Na6S2O9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.78304200
_cell_length_b 9.78304200
_cell_length_c 9.78304200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
236 | 44,048 | mp-1094439 | -0.059819 | 0 | MgZn2 | 0.073279 | ['Mg', 'Zn'] | # generated using pymatgen
data_MgZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.54913902
_cell_length_b 7.54913902
_cell_length_c 4.64241700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 157.43353819
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_MgZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95411600
_cell_length_b 14.80645800
_cell_length_c 4.64241700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
237 | 17,313 | mp-30354 | -0.198988 | 0 | ScAg4 | 0 | ['Sc', 'Ag'] | # generated using pymatgen
data_ScAg4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15791181
_cell_length_b 5.15791181
_cell_length_c 5.15791181
_cell_angle_alpha 99.17275776
_cell_angle_beta 99.17275776
_cell_angle_gamma 132.93563663
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 87 | 87 | # generated using pymatgen
data_ScAg4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.68775800
_cell_length_b 6.68775800
_cell_length_c 4.11873800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... |
238 | 16,539 | mp-1080622 | -2.163919 | 0 | KRhF6 | 0 | ['F', 'K', 'Rh'] | # generated using pymatgen
data_KRhF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98343889
_cell_length_b 4.98343889
_cell_length_c 4.98343832
_cell_angle_alpha 97.92275066
_cell_angle_beta 97.92275066
_cell_angle_gamma 97.92274346
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... | 148 | 148 | # generated using pymatgen
data_KRhF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.51768799
_cell_length_b 7.51768799
_cell_length_c 7.34609104
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
239 | 595 | mp-30349 | -0.274711 | 0 | Li2AgPb | 0 | ['Li', 'Ag', 'Pb'] | # generated using pymatgen
data_Li2AgPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78734625
_cell_length_b 4.78734625
_cell_length_c 4.78734625
_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_Li2AgPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.77032999
_cell_length_b 6.77032999
_cell_length_c 6.77032999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
240 | 26,211 | mp-1221781 | -0.412022 | 0.0229 | MnInCuTe3 | 0.00987 | ['Cu', 'In', 'Mn', 'Te'] | # generated using pymatgen
data_MnInCuTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.47745529
_cell_length_b 6.27181400
_cell_length_c 7.70368051
_cell_angle_alpha 65.97916546
_cell_angle_beta 73.10581789
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 8 | 8 | # generated using pymatgen
data_MnInCuTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.74239121
_cell_length_b 4.47745529
_cell_length_c 6.27181400
_cell_angle_alpha 90.00000000
_cell_angle_beta 115.17752500
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
241 | 7,952 | mp-866153 | -0.98301 | 0 | TiAlRh2 | 0 | ['Ti', 'Al', 'Rh'] | # generated using pymatgen
data_TiAlRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33337522
_cell_length_b 4.33337522
_cell_length_c 4.33337522
_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_TiAlRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.12831801
_cell_length_b 6.12831801
_cell_length_c 6.12831801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
242 | 42,453 | mp-776323 | -2.301106 | 0.7748 | Li2V5NiO12 | 0.064552 | ['Li', 'Ni', 'O', 'V'] | # generated using pymatgen
data_Li2V5NiO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.94170952
_cell_length_b 6.94170952
_cell_length_c 5.60124787
_cell_angle_alpha 72.31609383
_cell_angle_beta 72.31609383
_cell_angle_gamma 76.66040362
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 5 | 5 | # generated using pymatgen
data_Li2V5NiO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.89084200
_cell_length_b 8.61039400
_cell_length_c 5.60124787
_cell_angle_alpha 90.00000000
_cell_angle_beta 112.78249306
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
243 | 26,713 | mp-1220006 | -0.136869 | 0 | Pr(InCu)6 | 0.010769 | ['Cu', 'In', 'Pr'] | # generated using pymatgen
data_Pr(InCu)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.13018608
_cell_length_b 7.13018608
_cell_length_c 7.13018608
_cell_angle_alpha 133.80612653
_cell_angle_beta 99.23638848
_cell_angle_gamma 98.46884295
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 71 | 71 | # generated using pymatgen
data_Pr(InCu)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.59417200
_cell_length_b 9.23898200
_cell_length_c 9.31153400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
244 | 12,999 | mvc-15272 | -0.785516 | 0 | Ca2CoN2 | 0 | ['Ca', 'Co', 'N'] | # generated using pymatgen
data_Ca2CoN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93747053
_cell_length_b 5.93747053
_cell_length_c 6.71116610
_cell_angle_alpha 61.15956850
_cell_angle_beta 61.15956850
_cell_angle_gamma 49.24859309
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_Ca2CoN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.79502800
_cell_length_b 4.94788800
_cell_length_c 6.71116610
_cell_angle_alpha 90.00000000
_cell_angle_beta 122.04785935
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
245 | 35,147 | mp-1190311 | -1.630749 | 3.7876 | NaH2(SO2)2 | 0.034326 | ['H', 'Na', 'O', 'S'] | # generated using pymatgen
data_NaH2(SO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.21140476
_cell_length_b 8.21140476
_cell_length_c 5.47208302
_cell_angle_alpha 75.78771026
_cell_angle_beta 75.78771026
_cell_angle_gamma 46.54433042
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 5 | 5 | # generated using pymatgen
data_NaH2(SO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.08662399
_cell_length_b 6.48864000
_cell_length_c 5.47208302
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.50128672
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
246 | 13,529 | mp-1070844 | -1.23363 | 0 | ThPt2 | 0 | ['Pt', 'Th'] | # generated using pymatgen
data_ThPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.84620758
_cell_length_b 7.84620758
_cell_length_c 7.84620758
_cell_angle_alpha 148.94035371
_cell_angle_beta 148.94035371
_cell_angle_gamma 44.49910985
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_ThPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20148600
_cell_length_b 4.20148600
_cell_length_c 14.52401199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
247 | 30,827 | mp-30244 | -2.28761 | 3.5667 | Mg2H2O3 | 0.020142 | ['Mg', 'H', 'O'] | # generated using pymatgen
data_Mg2H2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.09962835
_cell_length_b 3.09962835
_cell_length_c 7.53697200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000757
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_Mg2H2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.09962835
_cell_length_b 3.09962835
_cell_length_c 7.53697200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
248 | 23,126 | mp-1189549 | -0.587777 | 3.5461 | LiH2N | 0.004425 | ['H', 'Li', 'N'] | # generated using pymatgen
data_LiH2N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.86517053
_cell_length_b 4.86517053
_cell_length_c 6.36415180
_cell_angle_alpha 112.27563451
_cell_angle_beta 112.27563451
_cell_angle_gamma 90.47514631
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 70 | 70 | # generated using pymatgen
data_LiH2N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.85180200
_cell_length_b 6.90886000
_cell_length_c 10.72672000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
249 | 40,846 | mp-541150 | -2.108862 | 0 | BaMn4O8 | 0.058587 | ['Ba', 'Mn', 'O'] | # generated using pymatgen
data_BaMn4O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.09430791
_cell_length_b 7.09430791
_cell_length_c 7.09430791
_cell_angle_alpha 92.85074165
_cell_angle_beta 92.85074165
_cell_angle_gamma 154.22800500
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 87 | 87 | # generated using pymatgen
data_BaMn4O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.78019600
_cell_length_b 9.78019600
_cell_length_c 3.16423000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
250 | 43,695 | mp-1220096 | -0.043844 | 0 | NdTiFe11C | 0.07187 | ['C', 'Fe', 'Nd', 'Ti'] | # generated using pymatgen
data_NdTiFe11C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95467300
_cell_length_b 6.52996819
_cell_length_c 6.52996819
_cell_angle_alpha 97.98396887
_cell_angle_beta 112.29525211
_cell_angle_gamma 67.70474789
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 44 | 44 | # generated using pymatgen
data_NdTiFe11C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95467300
_cell_length_b 8.51923599
_cell_length_c 8.56946800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
251 | 11,981 | mp-9676 | -0.500323 | 1.0602 | K2NaGaAs2 | 0 | ['As', 'Ga', 'K', 'Na'] | # generated using pymatgen
data_K2NaGaAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.91038154
_cell_length_b 8.91038154
_cell_length_c 8.91038154
_cell_angle_alpha 136.14591670
_cell_angle_beta 135.12823514
_cell_angle_gamma 64.54550142
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 72 | 72 | # generated using pymatgen
data_K2NaGaAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.65473000
_cell_length_b 6.80128200
_cell_length_c 15.06773800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
252 | 31,254 | mp-1224007 | -2.528745 | 2.7065 | K2NaMo(OF)3 | 0.022132 | ['F', 'K', 'Mo', 'Na', 'O'] | # generated using pymatgen
data_K2NaMo(OF)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11212771
_cell_length_b 6.05254955
_cell_length_c 6.01512595
_cell_angle_alpha 60.85936367
_cell_angle_beta 59.87280862
_cell_angle_gamma 59.26782771
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 42 | 42 | # generated using pymatgen
data_K2NaMo(OF)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.42104400
_cell_length_b 8.59144800
_cell_length_c 8.69594400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
253 | 44,797 | mp-1293376 | -1.673588 | 0 | FeRe(PbO3)2 | 0.078241 | ['Fe', 'O', 'Pb', 'Re'] | # generated using pymatgen
data_FeRe(PbO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68459619
_cell_length_b 5.68811421
_cell_length_c 5.68850180
_cell_angle_alpha 60.08041674
_cell_angle_beta 60.11504604
_cell_angle_gamma 90.15465703
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 79 | 79 | # generated using pymatgen
data_FeRe(PbO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68635520
_cell_length_b 5.68635520
_cell_length_c 8.05766706
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
254 | 32,492 | mp-998429 | -1.859758 | 1.8303 | NiAgF3 | 0.025468 | ['Ag', 'F', 'Ni'] | # generated using pymatgen
data_NiAgF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67314249
_cell_length_b 5.67314249
_cell_length_c 7.63391100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 148.82498593
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_NiAgF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.04885800
_cell_length_b 10.92898201
_cell_length_c 7.63391100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
255 | 29,625 | mp-1185393 | -0.590665 | 0 | LiLuRh2 | 0.018547 | ['Li', 'Lu', 'Rh'] | # generated using pymatgen
data_LiLuRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48420816
_cell_length_b 4.48420816
_cell_length_c 4.48420816
_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_LiLuRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.34162800
_cell_length_b 6.34162800
_cell_length_c 6.34162800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
256 | 10,094 | mp-1179515 | -0.470876 | 0 | Sc3RuC4 | 0 | ['C', 'Ru', 'Sc'] | # generated using pymatgen
data_Sc3RuC4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.81245692
_cell_length_b 6.81245692
_cell_length_c 6.66091297
_cell_angle_alpha 75.87343908
_cell_angle_beta 75.87343908
_cell_angle_gamma 38.57802452
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_Sc3RuC4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.86007001
_cell_length_b 4.50076400
_cell_length_c 6.66091297
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.98583105
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
257 | 37,558 | mp-1103290 | -0.306338 | 5.7238 | Mg(BH4)2 | 0.043721 | ['B', 'H', 'Mg'] | # generated using pymatgen
data_Mg(BH4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27702362
_cell_length_b 4.27702362
_cell_length_c 5.36588300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999415
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 164 | 164 | # generated using pymatgen
data_Mg(BH4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27702362
_cell_length_b 4.27702362
_cell_length_c 5.36588300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
258 | 21,001 | mp-1017981 | 0.001089 | 0 | Hg | 0.001089 | ['Hg'] | # generated using pymatgen
data_Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.40436145
_cell_length_b 3.40436145
_cell_length_c 3.40436145
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... | 229 | 229 | # generated using pymatgen
data_Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93101800
_cell_length_b 3.93101800
_cell_length_c 3.93101800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hg
_... |
259 | 23,606 | mp-1186338 | -0.4487 | 0 | NdTmIn2 | 0.005068 | ['In', 'Nd', 'Tm'] | # generated using pymatgen
data_NdTmIn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37881138
_cell_length_b 5.37881138
_cell_length_c 5.37881138
_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_NdTmIn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.60678800
_cell_length_b 7.60678800
_cell_length_c 7.60678800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
260 | 13,709 | mp-12802 | -0.189439 | 0 | AlCu3 | 0 | ['Al', 'Cu'] | # generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23988500
_cell_length_b 4.51430700
_cell_length_c 5.18148600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | 59 | 59 | # generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.23988500
_cell_length_b 4.51430700
_cell_length_c 5.18148600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... |
261 | 43,428 | mp-763609 | -2.06226 | 0.7011 | Li4Mn5O10 | 0.070068 | ['Li', 'Mn', 'O'] | # generated using pymatgen
data_Li4Mn5O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19379300
_cell_length_b 5.23620470
_cell_length_c 7.98751745
_cell_angle_alpha 108.13991098
_cell_angle_beta 89.29211256
_cell_angle_gamma 93.46978021
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 1 | 1 | # generated using pymatgen
data_Li4Mn5O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19379300
_cell_length_b 5.23620470
_cell_length_c 7.98751745
_cell_angle_alpha 108.13991098
_cell_angle_beta 89.29211256
_cell_angle_gamma 93.46978021
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
262 | 17,463 | mp-866116 | -0.394906 | 0 | HoTaRu2 | 0 | ['Ho', 'Ta', 'Ru'] | # generated using pymatgen
data_HoTaRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61967002
_cell_length_b 4.61967002
_cell_length_c 4.61967002
_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_HoTaRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.53320000
_cell_length_b 6.53320000
_cell_length_c 6.53320000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
263 | 6,868 | mp-555358 | -1.620708 | 0 | Ba2UCu2S5 | 0 | ['Ba', 'Cu', 'S', 'U'] | # generated using pymatgen
data_Ba2UCu2S5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.15702812
_cell_length_b 7.15702812
_cell_length_c 9.38315123
_cell_angle_alpha 65.06104129
_cell_angle_beta 65.06104129
_cell_angle_gamma 33.06880802
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 12 | 12 | # generated using pymatgen
data_Ba2UCu2S5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.72215600
_cell_length_b 4.07365200
_cell_length_c 9.38315123
_cell_angle_alpha 90.00000000
_cell_angle_beta 116.09369173
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
264 | 39,969 | mp-780883 | -2.528338 | 0.1125 | Mn3(OF2)2 | 0.052488 | ['F', 'Mn', 'O'] | # generated using pymatgen
data_Mn3(OF2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80901395
_cell_length_b 5.80901395
_cell_length_c 7.14321147
_cell_angle_alpha 74.43463806
_cell_angle_beta 74.43463806
_cell_angle_gamma 76.71310696
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 12 | 12 | # generated using pymatgen
data_Mn3(OF2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.11044201
_cell_length_b 7.20960600
_cell_length_c 7.14321147
_cell_angle_alpha 90.00000000
_cell_angle_beta 110.01069388
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
265 | 3,689 | mp-1222671 | -0.289977 | 0 | Li2CdIn | 0 | ['Cd', 'In', 'Li'] | # generated using pymatgen
data_Li2CdIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81214590
_cell_length_b 4.81214590
_cell_length_c 4.81214590
_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_Li2CdIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.80540200
_cell_length_b 6.80540200
_cell_length_c 6.80540200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
266 | 11,491 | mp-983229 | -0.499349 | 0 | Pm2ZnRh | 0 | ['Pm', 'Zn', 'Rh'] | # generated using pymatgen
data_Pm2ZnRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08039535
_cell_length_b 5.08039535
_cell_length_c 5.08039535
_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_Pm2ZnRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.18476401
_cell_length_b 7.18476401
_cell_length_c 7.18476401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
267 | 44,492 | mvc-16811 | -1.994743 | 0.015 | LiMn2O4 | 0.073554 | ['Li', 'Mn', 'O'] | # generated using pymatgen
data_LiMn2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.98816600
_cell_length_b 5.06234500
_cell_length_c 5.27374758
_cell_angle_alpha 71.94884554
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 10 | 10 | # generated using pymatgen
data_LiMn2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06234500
_cell_length_b 2.98816600
_cell_length_c 5.27374758
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.05115446
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
268 | 14,068 | mp-1103015 | -0.114235 | 0 | TmFe3 | 0 | ['Fe', 'Tm'] | # generated using pymatgen
data_TmFe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06052147
_cell_length_b 5.06052147
_cell_length_c 8.52890658
_cell_angle_alpha 72.74236852
_cell_angle_beta 72.74236852
_cell_angle_gamma 60.00000689
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | 166 | 166 | # generated using pymatgen
data_TmFe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06052173
_cell_length_b 5.06052173
_cell_length_c 24.03858600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
269 | 37,704 | mp-1219188 | -0.735106 | 0 | Sm2NiGe3 | 0.044361 | ['Ge', 'Ni', 'Sm'] | # generated using pymatgen
data_Sm2NiGe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16399300
_cell_length_b 4.22180912
_cell_length_c 7.14678434
_cell_angle_alpha 89.99702521
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 25 | 25 | # generated using pymatgen
data_Sm2NiGe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16399300
_cell_length_b 4.22180912
_cell_length_c 7.14678434
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
270 | 25,813 | mp-159 | 0.00901 | 0 | Nd | 0.00901 | ['Nd'] | # generated using pymatgen
data_Nd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68816149
_cell_length_b 3.68816149
_cell_length_c 3.68816149
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nd
_... | 225 | 225 | # generated using pymatgen
data_Nd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21584800
_cell_length_b 5.21584800
_cell_length_c 5.21584800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nd
_... |
271 | 3,811 | mp-2694 | -0.501039 | 0 | LaAl2 | 0 | ['La', 'Al'] | # generated using pymatgen
data_LaAl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.75810346
_cell_length_b 5.75810346
_cell_length_c 5.75810346
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | 227 | 227 | # generated using pymatgen
data_LaAl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.14318801
_cell_length_b 8.14318801
_cell_length_c 8.14318801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... |
272 | 31,249 | mp-1223095 | -3.16795 | 2.1281 | La2Ti3(BiO6)2 | 0.021385 | ['Bi', 'La', 'O', 'Ti'] | # generated using pymatgen
data_La2Ti3(BiO6)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 16.90068440
_cell_length_b 16.90008588
_cell_length_c 3.85163982
_cell_angle_alpha 83.46570732
_cell_angle_beta 83.44801663
_cell_angle_gamma 13.08627606
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | 42 | 42 | # generated using pymatgen
data_La2Ti3(BiO6)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.44332600
_cell_length_b 5.45075400
_cell_length_c 33.35898400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... |
273 | 22,299 | mp-19086 | -2.051543 | 0.5262 | BaCoO2 | 0.00247 | ['Ba', 'Co', 'O'] | # generated using pymatgen
data_BaCoO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.91432191
_cell_length_b 5.91432191
_cell_length_c 6.89389200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999905
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 152 | 152 | # generated using pymatgen
data_BaCoO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.91432191
_cell_length_b 5.91432191
_cell_length_c 6.89389200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
274 | 31,429 | mp-754556 | -0.974297 | 0.7191 | Nb3N5 | 0.021783 | ['N', 'Nb'] | # generated using pymatgen
data_Nb3N5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.56422313
_cell_length_b 5.56422313
_cell_length_c 10.40135800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 138.75032708
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_Nb3N5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91996600
_cell_length_b 10.41519000
_cell_length_c 10.40135800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
275 | 16,370 | mp-569696 | -0.496764 | 0 | La(AlGa)2 | 0 | ['Al', 'Ga', 'La'] | # generated using pymatgen
data_La(AlGa)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.36078419
_cell_length_b 6.36078419
_cell_length_c 6.36078419
_cell_angle_alpha 140.54238208
_cell_angle_beta 140.54238208
_cell_angle_gamma 57.03068746
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_La(AlGa)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29440200
_cell_length_b 4.29440200
_cell_length_c 11.17830600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
276 | 40,115 | mp-1185121 | -0.298629 | 0 | LaZn3 | 0.054624 | ['La', 'Zn'] | # generated using pymatgen
data_LaZn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.62769591
_cell_length_b 6.62769591
_cell_length_c 4.46360900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999910
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_LaZn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.62769591
_cell_length_b 6.62769591
_cell_length_c 4.46360900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
277 | 43,374 | mp-755142 | -3.569738 | 3.3784 | La2MgO4 | 0.069898 | ['La', 'Mg', 'O'] | # generated using pymatgen
data_La2MgO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.83200331
_cell_length_b 6.83200331
_cell_length_c 5.67019600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 131.87345129
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 64 | 64 | # generated using pymatgen
data_La2MgO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57143400
_cell_length_b 12.47654600
_cell_length_c 5.67019600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
278 | 38,332 | mp-25405 | -2.155606 | 0.1784 | LiCuPO4F | 0.045485 | ['Cu', 'F', 'Li', 'O', 'P'] | # generated using pymatgen
data_LiCuPO4F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23700100
_cell_length_b 5.25454724
_cell_length_c 7.25386293
_cell_angle_alpha 105.06756767
_cell_angle_beta 108.90846961
_cell_angle_gamma 98.11191525
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 2 | 2 | # generated using pymatgen
data_LiCuPO4F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23700100
_cell_length_b 5.25454724
_cell_length_c 7.25386293
_cell_angle_alpha 105.06756767
_cell_angle_beta 108.90846961
_cell_angle_gamma 98.11191525
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
279 | 17,665 | mp-1209526 | -0.904448 | 0 | PrBPt2 | 0 | ['B', 'Pr', 'Pt'] | # generated using pymatgen
data_PrBPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52203560
_cell_length_b 5.52203560
_cell_length_c 7.99395400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999526
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 180 | 180 | # generated using pymatgen
data_PrBPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52203560
_cell_length_b 5.52203560
_cell_length_c 7.99395400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
280 | 11,610 | mp-1186508 | -0.545607 | 0 | Pm2InSn | 0 | ['In', 'Pm', 'Sn'] | # generated using pymatgen
data_Pm2InSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45782208
_cell_length_b 5.45782208
_cell_length_c 5.45782208
_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_Pm2InSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.71852601
_cell_length_b 7.71852601
_cell_length_c 7.71852601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
281 | 38,274 | mp-1247173 | -1.139962 | 0 | Mg2Mn3AlS8 | 0.04581 | ['Al', 'Mg', 'Mn', 'S'] | # generated using pymatgen
data_Mg2Mn3AlS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.26267359
_cell_length_b 7.26231183
_cell_length_c 7.26287138
_cell_angle_alpha 60.26905681
_cell_angle_beta 60.26852324
_cell_angle_gamma 60.27086084
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 166 | 166 | # generated using pymatgen
data_Mg2Mn3AlS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.29215625
_cell_length_b 7.29215625
_cell_length_c 17.75339400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
282 | 21,741 | mp-1223096 | -0.088597 | 0 | La2TiCo16 | 0.002111 | ['Co', 'La', 'Ti'] | # generated using pymatgen
data_La2TiCo16
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.38763665
_cell_length_b 6.38763701
_cell_length_c 6.38763665
_cell_angle_alpha 83.14700373
_cell_angle_beta 83.14700736
_cell_angle_gamma 83.14700373
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 160 | 160 | # generated using pymatgen
data_La2TiCo16
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.47741993
_cell_length_b 8.47741993
_cell_length_c 12.31329300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
283 | 27,888 | mp-571249 | 0.01368 | 0 | Tb | 0.01368 | ['Tb'] | # generated using pymatgen
data_Tb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.57609961
_cell_length_b 3.57609961
_cell_length_c 17.36712200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999285
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb... | 194 | 194 | # generated using pymatgen
data_Tb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.57609961
_cell_length_b 3.57609961
_cell_length_c 17.36712200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb... |
284 | 5,461 | mp-864734 | -0.68879 | 0 | HfInPd2 | 0 | ['Hf', 'In', 'Pd'] | # generated using pymatgen
data_HfInPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66526144
_cell_length_b 4.66526144
_cell_length_c 4.66526144
_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_HfInPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.59767600
_cell_length_b 6.59767600
_cell_length_c 6.59767600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
285 | 25,632 | mp-1187348 | -0.874713 | 0 | TbHoRh2 | 0.008994 | ['Ho', 'Rh', 'Tb'] | # generated using pymatgen
data_TbHoRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85094768
_cell_length_b 4.85094768
_cell_length_c 4.85094768
_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_TbHoRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.86027600
_cell_length_b 6.86027600
_cell_length_c 6.86027600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
286 | 1,795 | mp-23353 | -0.445614 | 0.8462 | Cu2HgI4 | 0 | ['Cu', 'Hg', 'I'] | # generated using pymatgen
data_Cu2HgI4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.67149480
_cell_length_b 7.67149480
_cell_length_c 7.67149480
_cell_angle_alpha 132.28374580
_cell_angle_beta 132.28374580
_cell_angle_gamma 69.78124876
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 121 | 121 | # generated using pymatgen
data_Cu2HgI4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.20583000
_cell_length_b 6.20583000
_cell_length_c 12.58501800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
287 | 10,268 | mp-2090 | -0.06793 | 0 | FeCo | 0 | ['Fe', 'Co'] | # generated using pymatgen
data_FeCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.84344600
_cell_length_b 2.84344600
_cell_length_c 2.84344600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe... | 221 | 221 | # generated using pymatgen
data_FeCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.84344600
_cell_length_b 2.84344600
_cell_length_c 2.84344600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe... |
288 | 4,670 | mp-1217476 | -1.112019 | 0 | TbSi2IrRh | 0 | ['Ir', 'Rh', 'Si', 'Tb'] | # generated using pymatgen
data_TbSi2IrRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.77133918
_cell_length_b 5.77133918
_cell_length_c 5.77133918
_cell_angle_alpha 138.58121937
_cell_angle_beta 138.58121937
_cell_angle_gamma 60.01399015
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 119 | 119 | # generated using pymatgen
data_TbSi2IrRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08181600
_cell_length_b 4.08181600
_cell_length_c 9.99554801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
289 | 29,279 | mp-1232213 | -1.855261 | 0.2214 | YSe2 | 0.017414 | ['Se', 'Y'] | # generated using pymatgen
data_YSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.57296362
_cell_length_b 7.57296362
_cell_length_c 7.57296362
_cell_angle_alpha 148.64465785
_cell_angle_beta 135.74353051
_cell_angle_gamma 55.23723701
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 71 | 71 | # generated using pymatgen
data_YSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09281200
_cell_length_b 5.70518000
_cell_length_c 13.42009400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... |
290 | 33,626 | mp-1186713 | 0.03037 | 0 | Pr3Dy | 0.03037 | ['Dy', 'Pr'] | # generated using pymatgen
data_Pr3Dy
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.37239941
_cell_length_b 7.37239941
_cell_length_c 6.03207000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999466
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_Pr3Dy
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.37239941
_cell_length_b 7.37239941
_cell_length_c 6.03207000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
291 | 4,211 | mp-1226069 | -0.301105 | 0 | Co3SiMo2 | 0 | ['Co', 'Mo', 'Si'] | # generated using pymatgen
data_Co3SiMo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76879558
_cell_length_b 4.76879558
_cell_length_c 7.40046000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999422
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 194 | 194 | # generated using pymatgen
data_Co3SiMo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76879558
_cell_length_b 4.76879558
_cell_length_c 7.40046000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
292 | 36,156 | mp-1208115 | -1.965253 | 2.3775 | V2NO5 | 0.037641 | ['N', 'O', 'V'] | # generated using pymatgen
data_V2NO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11195907
_cell_length_b 6.11195907
_cell_length_c 11.65516338
_cell_angle_alpha 88.10304150
_cell_angle_beta 88.10304150
_cell_angle_gamma 34.89316059
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_V2NO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.66158000
_cell_length_b 3.66493200
_cell_length_c 11.65516338
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.98846846
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
293 | 25,319 | mp-23206 | -0.312472 | 0 | BiPd | 0.00836 | ['Bi', 'Pd'] | # generated using pymatgen
data_BiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.85224100
_cell_length_b 5.73430900
_cell_length_c 5.75015261
_cell_angle_alpha 78.89815893
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... | 4 | 4 | # generated using pymatgen
data_BiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73430900
_cell_length_b 10.85224100
_cell_length_c 5.75015261
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.10184107
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
294 | 42,638 | mp-1187320 | 0.038913 | 0 | Tb5Mg | 0.067352 | ['Mg', 'Tb'] | # generated using pymatgen
data_Tb5Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.31809284
_cell_length_b 9.31809284
_cell_length_c 5.64080700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 157.76660774
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 38 | 38 | # generated using pymatgen
data_Tb5Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.59320400
_cell_length_b 18.28650600
_cell_length_c 5.64080700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
295 | 21,470 | mp-866009 | -0.497251 | 0 | DyZrRu2 | 0.001464 | ['Dy', 'Ru', 'Zr'] | # generated using pymatgen
data_DyZrRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.71905530
_cell_length_b 4.71905530
_cell_length_c 4.71905530
_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_DyZrRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.67375201
_cell_length_b 6.67375201
_cell_length_c 6.67375201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
296 | 16,693 | mp-1219358 | -0.394496 | 0 | ScAlFe | 0 | ['Al', 'Fe', 'Sc'] | # generated using pymatgen
data_ScAlFe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12293962
_cell_length_b 5.20775335
_cell_length_c 8.36926200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.55063236
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 38 | 38 | # generated using pymatgen
data_ScAlFe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20775335
_cell_length_b 8.82354948
_cell_length_c 8.36926200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
297 | 45,173 | mp-753230 | -1.836075 | 2.2938 | LiFe(CO3)2 | 0.079192 | ['C', 'Fe', 'Li', 'O'] | # generated using pymatgen
data_LiFe(CO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.16427069
_cell_length_b 6.16427069
_cell_length_c 8.30347605
_cell_angle_alpha 82.67357696
_cell_angle_beta 82.67357696
_cell_angle_gamma 126.06705264
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 9 | 9 | # generated using pymatgen
data_LiFe(CO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.59061200
_cell_length_b 10.98808400
_cell_length_c 8.30347605
_cell_angle_alpha 90.00000000
_cell_angle_beta 106.33269701
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
298 | 33,963 | mp-862560 | -1.434959 | 0.208 | Cu3Mo2(HO5)2 | 0.029643 | ['Cu', 'H', 'Mo', 'O'] | # generated using pymatgen
data_Cu3Mo2(HO5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40273900
_cell_length_b 5.68633589
_cell_length_c 7.61052594
_cell_angle_alpha 103.42623327
_cell_angle_beta 106.50203247
_cell_angle_gamma 97.32935825
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | 2 | 2 | # generated using pymatgen
data_Cu3Mo2(HO5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40273900
_cell_length_b 5.68633589
_cell_length_c 7.61052594
_cell_angle_alpha 103.42623327
_cell_angle_beta 106.50203247
_cell_angle_gamma 97.32935825
_symmetry_Int_Tables_number 1
_chemical_formula_struc... |
299 | 37,578 | mp-1113480 | -1.623649 | 0.9802 | Cs2AgMoCl6 | 0.043438 | ['Ag', 'Cl', 'Cs', 'Mo'] | # generated using pymatgen
data_Cs2AgMoCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.44442302
_cell_length_b 7.44442302
_cell_length_c 7.44442302
_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_Cs2AgMoCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.52800400
_cell_length_b 10.52800400
_cell_length_c 10.52800400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
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