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 |
|---|---|---|---|---|---|---|---|---|---|---|---|
26,500 | 36,110 | mp-1184040 | -2.638422 | 0 | Eu2Ga2O5 | 0.039236 | ['Eu', 'Ga', 'O'] | # generated using pymatgen
data_Eu2Ga2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93587400
_cell_length_b 3.93587400
_cell_length_c 7.58410300
_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_Eu2Ga2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93587400
_cell_length_b 3.93587400
_cell_length_c 7.58410300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,501 | 18,529 | mp-1077056 | -0.695777 | 0 | GdAlGe | 0 | ['Al', 'Gd', 'Ge'] | # generated using pymatgen
data_GdAlGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65356698
_cell_length_b 5.65356698
_cell_length_c 5.80150600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 137.50973675
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_GdAlGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09724000
_cell_length_b 10.53868601
_cell_length_c 5.80150600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,502 | 37,114 | mp-1183315 | 0.042273 | 0 | Ba3Yb | 0.042273 | ['Ba', 'Yb'] | # generated using pymatgen
data_Ba3Yb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.19106500
_cell_length_b 6.19106500
_cell_length_c 6.19106500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... | 221 | 221 | # generated using pymatgen
data_Ba3Yb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.19106500
_cell_length_b 6.19106500
_cell_length_c 6.19106500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... |
26,503 | 19,665 | mp-1215389 | -1.102433 | 0 | Zr4C3N | 0 | ['C', 'N', 'Zr'] | # generated using pymatgen
data_Zr4C3N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.01884349
_cell_length_b 11.01884349
_cell_length_c 11.01884341
_cell_angle_alpha 17.36520572
_cell_angle_beta 17.36520572
_cell_angle_gamma 17.36520582
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 166 | 166 | # generated using pymatgen
data_Zr4C3N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32682399
_cell_length_b 3.32682399
_cell_length_c 32.55043668
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,504 | 1,321 | mp-23956 | -0.34755 | 3.5537 | K2MgH4 | 0 | ['K', 'Mg', 'H'] | # generated using pymatgen
data_K2MgH4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.41465369
_cell_length_b 7.41465369
_cell_length_c 7.41465369
_cell_angle_alpha 148.38876860
_cell_angle_beta 148.38876860
_cell_angle_gamma 45.31179134
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_K2MgH4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03912600
_cell_length_b 4.03912600
_cell_length_c 13.68500200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,505 | 28,911 | mp-752958 | -2.829753 | 1.7791 | VOF | 0.015931 | ['F', 'O', 'V'] | # generated using pymatgen
data_VOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00439955
_cell_length_b 7.02151901
_cell_length_c 4.98547992
_cell_angle_alpha 73.57723252
_cell_angle_beta 101.68895776
_cell_angle_gamma 73.48048699
_symmetry_Int_Tables_number 1
_chemical_formula_structural VO... | 59 | 59 | # generated using pymatgen
data_VOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.15395094
_cell_length_b 3.87325521
_cell_length_c 6.27382702
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VOF... |
26,506 | 42,707 | mp-1220448 | -0.408212 | 0 | Nd2In3Ni | 0.067438 | ['In', 'Nd', 'Ni'] | # generated using pymatgen
data_Nd2In3Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82898400
_cell_length_b 4.76914003
_cell_length_c 8.28047055
_cell_angle_alpha 89.99266837
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 25 | 25 | # generated using pymatgen
data_Nd2In3Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82898400
_cell_length_b 4.76914003
_cell_length_c 8.28047055
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,507 | 28,423 | mp-754378 | -2.288865 | 0 | LiV3O4 | 0.014087 | ['Li', 'O', 'V'] | # generated using pymatgen
data_LiV3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.20520705
_cell_length_b 6.10724379
_cell_length_c 6.09847102
_cell_angle_alpha 90.33055471
_cell_angle_beta 59.69260844
_cell_angle_gamma 120.45831689
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 65 | 65 | # generated using pymatgen
data_LiV3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.06714039
_cell_length_b 8.60581355
_cell_length_c 3.10260353
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,508 | 15,876 | mp-567229 | -0.563383 | 0 | LuAlSi | 0 | ['Lu', 'Al', 'Si'] | # generated using pymatgen
data_LuAlSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41524714
_cell_length_b 5.41524714
_cell_length_c 5.61193900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 136.86434277
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_LuAlSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98131600
_cell_length_b 10.07217600
_cell_length_c 5.61193900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,509 | 8,546 | mp-1079645 | -1.062815 | 2.1301 | K2CdSnSe4 | 0 | ['Cd', 'K', 'Se', 'Sn'] | # generated using pymatgen
data_K2CdSnSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84201304
_cell_length_b 6.84201304
_cell_length_c 6.84201252
_cell_angle_alpha 105.52573446
_cell_angle_beta 105.52573446
_cell_angle_gamma 117.68806215
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 121 | 121 | # generated using pymatgen
data_K2CdSnSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.28041200
_cell_length_b 8.28041200
_cell_length_c 7.07969800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,510 | 43,120 | mp-1183328 | -0.004352 | 0 | BaMg3 | 0.069116 | ['Ba', 'Mg'] | # generated using pymatgen
data_BaMg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.54284325
_cell_length_b 5.54284325
_cell_length_c 5.54284325
_cell_angle_alpha 120.19865032
_cell_angle_beta 120.19865032
_cell_angle_gamma 89.65627056
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 225 | 225 | # generated using pymatgen
data_BaMg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.83089111
_cell_length_b 7.83089111
_cell_length_c 7.83089111
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... |
26,511 | 27,821 | mp-23020 | -0.699669 | 1.6111 | BiSeI | 0.012848 | ['Bi', 'I', 'Se'] | # generated using pymatgen
data_BiSeI
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27399100
_cell_length_b 9.03710600
_cell_length_c 11.27748800
_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_BiSeI
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27399100
_cell_length_b 9.03710600
_cell_length_c 11.27748800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,512 | 29,529 | mp-1079908 | -0.774359 | 0 | Ti2SiC | 0.018446 | ['C', 'Si', 'Ti'] | # generated using pymatgen
data_Ti2SiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.05096458
_cell_length_b 3.05096458
_cell_length_c 12.89461800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001258
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_Ti2SiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.05096458
_cell_length_b 3.05096458
_cell_length_c 12.89461800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,513 | 43,882 | mp-754910 | -1.924023 | 0 | Li2CrNiO4 | 0.072734 | ['Cr', 'Li', 'Ni', 'O'] | # generated using pymatgen
data_Li2CrNiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16367385
_cell_length_b 5.16366781
_cell_length_c 5.16368442
_cell_angle_alpha 133.76175663
_cell_angle_beta 133.76172629
_cell_angle_gamma 67.46073997
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 119 | 119 | # generated using pymatgen
data_Li2CrNiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05497608
_cell_length_b 4.05497608
_cell_length_c 8.58883600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,514 | 29,270 | mp-1227728 | -2.958502 | 0 | BaSr3Yb2(ReO6)2 | 0.016386 | ['Ba', 'O', 'Re', 'Sr', 'Yb'] | # generated using pymatgen
data_BaSr3Yb2(ReO6)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.20739077
_cell_length_b 10.20739077
_cell_length_c 10.20739118
_cell_angle_alpha 33.53006574
_cell_angle_beta 33.53006574
_cell_angle_gamma 33.53006176
_symmetry_Int_Tables_number 1
_chemical_formula_s... | 160 | 160 | # generated using pymatgen
data_BaSr3Yb2(ReO6)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88859240
_cell_length_b 5.88859240
_cell_length_c 28.87370596
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_st... |
26,515 | 41,750 | mp-1226819 | -0.528476 | 0 | CeNiSn | 0.063 | ['Ce', 'Ni', 'Sn'] | # generated using pymatgen
data_CeNiSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24135500
_cell_length_b 6.09463994
_cell_length_c 5.71588786
_cell_angle_alpha 90.69575878
_cell_angle_beta 111.77819473
_cell_angle_gamma 69.63754927
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_CeNiSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.61585665
_cell_length_b 4.24135500
_cell_length_c 7.25761386
_cell_angle_alpha 90.00000000
_cell_angle_beta 128.72609815
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,516 | 22,004 | mp-1018116 | -0.919419 | 0 | NbInSe2 | 0.002577 | ['In', 'Nb', 'Se'] | # generated using pymatgen
data_NbInSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51272604
_cell_length_b 3.51272604
_cell_length_c 8.58160700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000077
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 187 | 187 | # generated using pymatgen
data_NbInSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51272604
_cell_length_b 3.51272604
_cell_length_c 8.58160700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,517 | 11,552 | mp-1100770 | -0.687267 | 0 | ThInRh2 | 0 | ['In', 'Rh', 'Th'] | # generated using pymatgen
data_ThInRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85502203
_cell_length_b 4.85502203
_cell_length_c 4.85502203
_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_ThInRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.86603800
_cell_length_b 6.86603800
_cell_length_c 6.86603800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,518 | 14,135 | mp-1188617 | -0.769008 | 0 | Sm7Pt3 | 0 | ['Pt', 'Sm'] | # generated using pymatgen
data_Sm7Pt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44387200
_cell_length_b 10.06331292
_cell_length_c 10.06331292
_cell_angle_alpha 119.88321172
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 186 | 186 | # generated using pymatgen
data_Sm7Pt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.06331292
_cell_length_b 10.06331292
_cell_length_c 6.44387200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,519 | 20,583 | mp-1173541 | -1.898106 | 2.4088 | NaMn2Mo2H3O10 | 0.000604 | ['H', 'Mn', 'Mo', 'Na', 'O'] | # generated using pymatgen
data_NaMn2Mo2H3O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.85590957
_cell_length_b 5.85592243
_cell_length_c 7.81793747
_cell_angle_alpha 68.58807063
_cell_angle_beta 68.58818640
_cell_angle_gamma 69.55815360
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 5 | 5 | # generated using pymatgen
data_NaMn2Mo2H3O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.61960183
_cell_length_b 6.68058900
_cell_length_c 7.81793747
_cell_angle_alpha 90.00000000
_cell_angle_beta 116.38950383
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... |
26,520 | 14,078 | mp-1104293 | -2.35535 | 0.6151 | K2AgF4 | 0 | ['Ag', 'F', 'K'] | # generated using pymatgen
data_K2AgF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.44253200
_cell_length_b 3.83410500
_cell_length_c 6.50822997
_cell_angle_alpha 87.19639093
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 14 | 14 | # generated using pymatgen
data_K2AgF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.83410500
_cell_length_b 10.44253200
_cell_length_c 6.50822997
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.80360907
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,521 | 23,668 | mp-1216662 | -0.987014 | 0 | U2AsSe | 0.005923 | ['As', 'Se', 'U'] | # generated using pymatgen
data_U2AsSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07653700
_cell_length_b 4.07653700
_cell_length_c 5.75161100
_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_U2AsSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07653700
_cell_length_b 4.07653700
_cell_length_c 5.75161100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,522 | 38,786 | mp-1517075 | -3.049485 | 0.279 | SrEuTiSnO6 | 0.048356 | ['Eu', 'O', 'Sn', 'Sr', 'Ti'] | # generated using pymatgen
data_SrEuTiSnO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68313025
_cell_length_b 5.68313025
_cell_length_c 5.68313025
_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_SrEuTiSnO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.03715988
_cell_length_b 8.03715988
_cell_length_c 8.03715988
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,523 | 39,935 | mp-760153 | -2.874868 | 2.2314 | Li3Mn5OF11 | 0.05383 | ['F', 'Li', 'Mn', 'O'] | # generated using pymatgen
data_Li3Mn5OF11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36355990
_cell_length_b 5.76603971
_cell_length_c 9.66128054
_cell_angle_alpha 86.10279200
_cell_angle_beta 72.53567773
_cell_angle_gamma 116.86395747
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 1 | 1 | # generated using pymatgen
data_Li3Mn5OF11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36355990
_cell_length_b 5.76603971
_cell_length_c 9.53966502
_cell_angle_alpha 71.16199456
_cell_angle_beta 75.03078919
_cell_angle_gamma 63.13604253
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,524 | 18,563 | mp-1102705 | -0.540042 | 0 | SrGaGe | 0 | ['Ga', 'Ge', 'Sr'] | # generated using pymatgen
data_SrGaGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32415828
_cell_length_b 4.32415828
_cell_length_c 19.13454100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000427
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_SrGaGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32415828
_cell_length_b 4.32415828
_cell_length_c 19.13454100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,525 | 28,485 | mp-978088 | 0.014898 | 0 | PrLu3 | 0.014898 | ['Pr', 'Lu'] | # generated using pymatgen
data_PrLu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.16205785
_cell_length_b 7.16205785
_cell_length_c 5.62593800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999863
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_PrLu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.16205785
_cell_length_b 7.16205785
_cell_length_c 5.62593800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,526 | 21,254 | mp-1228847 | -0.343253 | 0 | AlVCrC | 0.001338 | ['Al', 'C', 'Cr', 'V'] | # generated using pymatgen
data_AlVCrC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.88110738
_cell_length_b 2.88110738
_cell_length_c 12.87035100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998570
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_AlVCrC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.88110738
_cell_length_b 2.88110738
_cell_length_c 12.87035100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,527 | 8,140 | mp-1210924 | -2.865664 | 0.0814 | LiTb2RuO6 | 0 | ['Li', 'O', 'Ru', 'Tb'] | # generated using pymatgen
data_LiTb2RuO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76151800
_cell_length_b 5.32699300
_cell_length_c 9.24108815
_cell_angle_alpha 55.57163548
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 14 | 14 | # generated using pymatgen
data_LiTb2RuO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.32699300
_cell_length_b 5.76151800
_cell_length_c 9.24108815
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.42836452
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,528 | 9,856 | mp-540957 | -1.07319 | 1.5571 | Cs2TeI6 | 0 | ['Cs', 'Te', 'I'] | # generated using pymatgen
data_Cs2TeI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.53176657
_cell_length_b 8.53176657
_cell_length_c 8.53176657
_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_Cs2TeI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.06573999
_cell_length_b 12.06573999
_cell_length_c 12.06573999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,529 | 18,205 | mp-1223339 | -0.486224 | 0 | La2Ga5Cu3 | 0 | ['Cu', 'Ga', 'La'] | # generated using pymatgen
data_La2Ga5Cu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32579100
_cell_length_b 4.32579100
_cell_length_c 10.22763100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 115 | 115 | # generated using pymatgen
data_La2Ga5Cu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32579100
_cell_length_b 4.32579100
_cell_length_c 10.22763100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,530 | 16,320 | mp-38 | 0 | 0 | Pr | 0 | ['Pr'] | # generated using pymatgen
data_Pr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74298826
_cell_length_b 3.74298826
_cell_length_c 12.02275800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000468
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pr... | 194 | 194 | # generated using pymatgen
data_Pr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74298826
_cell_length_b 3.74298826
_cell_length_c 12.02275800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pr... |
26,531 | 27,498 | mvc-8337 | -1.64871 | 0.5026 | Cu3(MoO3)4 | 0.012036 | ['Cu', 'Mo', 'O'] | # generated using pymatgen
data_Cu3(MoO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.55941578
_cell_length_b 6.57547880
_cell_length_c 6.57972609
_cell_angle_alpha 109.55034745
_cell_angle_beta 109.49788397
_cell_angle_gamma 109.41174991
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 148 | 148 | # generated using pymatgen
data_Cu3(MoO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.73812885
_cell_length_b 10.73812885
_cell_length_c 6.56653426
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
26,532 | 30,251 | mp-1226130 | -0.918501 | 0 | Cr5NiS8 | 0.020006 | ['Cr', 'Ni', 'S'] | # generated using pymatgen
data_Cr5NiS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.44224500
_cell_length_b 5.99103300
_cell_length_c 10.90594942
_cell_angle_alpha 88.88867809
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 10 | 10 | # generated using pymatgen
data_Cr5NiS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99103300
_cell_length_b 3.44224500
_cell_length_c 10.90594942
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.11132191
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,533 | 35,817 | mp-19738 | -0.507974 | 0 | ErMnSi | 0.036654 | ['Er', 'Mn', 'Si'] | # generated using pymatgen
data_ErMnSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05984400
_cell_length_b 6.89999200
_cell_length_c 7.57484600
_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_ErMnSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05984400
_cell_length_b 6.89999200
_cell_length_c 7.57484600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,534 | 3,768 | mp-20456 | -0.558296 | 0 | Co3Se4 | 0 | ['Co', 'Se'] | # generated using pymatgen
data_Co3Se4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.96725605
_cell_length_b 6.96725605
_cell_length_c 6.96725605
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 227 | 227 | # generated using pymatgen
data_Co3Se4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.85318800
_cell_length_b 9.85318800
_cell_length_c 9.85318800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,535 | 17,431 | mp-861942 | -0.553428 | 1.7318 | Ag2GePbS4 | 0 | ['Ag', 'Ge', 'Pb', 'S'] | # generated using pymatgen
data_Ag2GePbS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.29483693
_cell_length_b 6.29483693
_cell_length_c 10.28345700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 113.29791046
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 40 | 40 | # generated using pymatgen
data_Ag2GePbS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.92139000
_cell_length_b 10.51638000
_cell_length_c 10.28345700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,536 | 8,272 | mp-24041 | -2.114199 | 5.5131 | MgH2SO5 | 0 | ['H', 'Mg', 'O', 'S'] | # generated using pymatgen
data_MgH2SO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20429234
_cell_length_b 5.20429234
_cell_length_c 7.65709165
_cell_angle_alpha 73.50420163
_cell_angle_beta 73.50420163
_cell_angle_gamma 97.85182363
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_MgH2SO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.83879800
_cell_length_b 7.84662201
_cell_length_c 7.65709165
_cell_angle_alpha 90.00000000
_cell_angle_beta 115.60481928
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,537 | 2,449 | mp-865611 | -0.264181 | 0 | MgRh3 | 0 | ['Mg', 'Rh'] | # generated using pymatgen
data_MgRh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20151212
_cell_length_b 5.20151212
_cell_length_c 5.20151212
_cell_angle_alpha 148.90782539
_cell_angle_beta 125.43334783
_cell_angle_gamma 64.14512835
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 44 | 44 | # generated using pymatgen
data_MgRh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.78815000
_cell_length_b 4.76865200
_cell_length_c 8.81527600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... |
26,538 | 6,423 | mp-863707 | -0.376153 | 0.6817 | KNa2Bi | 0 | ['K', 'Na', 'Bi'] | # generated using pymatgen
data_KNa2Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64264847
_cell_length_b 5.64264847
_cell_length_c 5.64264847
_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_KNa2Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.97990999
_cell_length_b 7.97990999
_cell_length_c 7.97990999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,539 | 34,157 | mp-1207388 | -3.703487 | 3.3336 | Zr3TiO8 | 0.032133 | ['O', 'Ti', 'Zr'] | # generated using pymatgen
data_Zr3TiO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.42107762
_cell_length_b 6.42107762
_cell_length_c 6.42107762
_cell_angle_alpha 133.20469476
_cell_angle_beta 133.20469476
_cell_angle_gamma 68.33286960
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 121 | 121 | # generated using pymatgen
data_Zr3TiO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09975200
_cell_length_b 5.09975200
_cell_length_c 10.62572399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,540 | 41,523 | mp-1079324 | -0.074531 | 0 | Cr3AsC | 0.061906 | ['As', 'C', 'Cr'] | # generated using pymatgen
data_Cr3AsC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33759638
_cell_length_b 5.33759638
_cell_length_c 7.46558300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 147.59899210
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_Cr3AsC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.97837400
_cell_length_b 10.25129400
_cell_length_c 7.46558300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,541 | 24,085 | mp-1112130 | -2.504608 | 5.0728 | Cs2RbDyCl6 | 0.00621 | ['Cl', 'Cs', 'Dy', 'Rb'] | # generated using pymatgen
data_Cs2RbDyCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.17910272
_cell_length_b 8.17910272
_cell_length_c 8.17910272
_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_Cs2RbDyCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.56699799
_cell_length_b 11.56699799
_cell_length_c 11.56699799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
26,542 | 12,722 | mp-1659 | -0.096374 | 0 | ThRe2 | 0 | ['Th', 'Re'] | # generated using pymatgen
data_ThRe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41279031
_cell_length_b 5.41279031
_cell_length_c 9.42947200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000375
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_ThRe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41279031
_cell_length_b 5.41279031
_cell_length_c 9.42947200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,543 | 16,652 | mp-1207448 | -0.875441 | 0.7934 | Zr3Sb4Pt3 | 0 | ['Pt', 'Sb', 'Zr'] | # generated using pymatgen
data_Zr3Sb4Pt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.21893788
_cell_length_b 8.21893788
_cell_length_c 8.21893788
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 220 | 220 | # generated using pymatgen
data_Zr3Sb4Pt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.49041200
_cell_length_b 9.49041200
_cell_length_c 9.49041200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,544 | 24,434 | mp-753098 | -2.256575 | 1.8469 | LiCuF2 | 0.006249 | ['Li', 'Cu', 'F'] | # generated using pymatgen
data_LiCuF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11192846
_cell_length_b 6.11192846
_cell_length_c 6.11192922
_cell_angle_alpha 27.96720611
_cell_angle_beta 27.96720611
_cell_angle_gamma 27.96720418
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_LiCuF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95382419
_cell_length_b 2.95382419
_cell_length_c 17.60755009
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,545 | 27,940 | mp-777413 | -3.855781 | 0 | CeScO3 | 0.013483 | ['Ce', 'Sc', 'O'] | # generated using pymatgen
data_CeScO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.63649200
_cell_length_b 5.83766100
_cell_length_c 8.06700300
_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_CeScO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.63649200
_cell_length_b 5.83766100
_cell_length_c 8.06700300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,546 | 26,385 | mp-571135 | -1.680245 | 0 | La3BCCl3 | 0.0103 | ['B', 'C', 'Cl', 'La'] | # generated using pymatgen
data_La3BCCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.77272800
_cell_length_b 8.35332800
_cell_length_c 11.37175295
_cell_angle_alpha 79.16298489
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 11 | 11 | # generated using pymatgen
data_La3BCCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.35332800
_cell_length_b 3.77272800
_cell_length_c 11.37175295
_cell_angle_alpha 90.00000000
_cell_angle_beta 100.83701511
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,547 | 23,652 | mp-1214627 | -2.539131 | 0.5335 | Ba2SrY2Cu2PtO10 | 0.005743 | ['Ba', 'Cu', 'O', 'Pt', 'Sr', 'Y'] | # generated using pymatgen
data_Ba2SrY2Cu2PtO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.90879991
_cell_length_b 6.90879991
_cell_length_c 7.47004064
_cell_angle_alpha 76.02185448
_cell_angle_beta 76.02185448
_cell_angle_gamma 49.50461432
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | 12 | 12 | # generated using pymatgen
data_Ba2SrY2Cu2PtO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.54812600
_cell_length_b 5.78537800
_cell_length_c 7.47004064
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.42573843
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_st... |
26,548 | 23,784 | mp-139 | 0.005594 | 0 | Sr | 0.005594 | ['Sr'] | # generated using pymatgen
data_Sr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25138799
_cell_length_b 4.25138799
_cell_length_c 7.05564900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999987
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr
... | 194 | 194 | # generated using pymatgen
data_Sr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25138799
_cell_length_b 4.25138799
_cell_length_c 7.05564900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr
... |
26,549 | 36,228 | mp-1222788 | -0.452209 | 0 | LaLuAl4 | 0.039461 | ['Al', 'La', 'Lu'] | # generated using pymatgen
data_LaLuAl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.63712314
_cell_length_b 5.63712314
_cell_length_c 5.63712314
_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_LaLuAl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.97209600
_cell_length_b 7.97209600
_cell_length_c 7.97209600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,550 | 31,120 | mp-1185854 | -0.451458 | 0 | MgAu2 | 0.021489 | ['Au', 'Mg'] | # generated using pymatgen
data_MgAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35480645
_cell_length_b 5.35480645
_cell_length_c 7.39800291
_cell_angle_alpha 69.66548026
_cell_angle_beta 69.66548026
_cell_angle_gamma 33.41608741
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | 12 | 12 | # generated using pymatgen
data_MgAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.25747600
_cell_length_b 3.07896000
_cell_length_c 7.39800291
_cell_angle_alpha 90.00000000
_cell_angle_beta 111.27336340
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,551 | 6,533 | mp-1078624 | -0.285468 | 0.015 | LaCoC2 | 0 | ['C', 'Co', 'La'] | # generated using pymatgen
data_LaCoC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.87000540
_cell_length_b 3.87000540
_cell_length_c 7.43830709
_cell_angle_alpha 81.31283167
_cell_angle_beta 81.31283167
_cell_angle_gamma 90.02361757
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 9 | 9 | # generated using pymatgen
data_LaCoC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47188601
_cell_length_b 5.47414201
_cell_length_c 7.43830709
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.33610672
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,552 | 41,456 | mp-776165 | -0.35892 | 0.2565 | AgAuO3 | 0.059424 | ['Ag', 'Au', 'O'] | # generated using pymatgen
data_AgAuO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.28592645
_cell_length_b 7.28592645
_cell_length_c 7.28592645
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 227 | 227 | # generated using pymatgen
data_AgAuO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.30385600
_cell_length_b 10.30385600
_cell_length_c 10.30385600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,553 | 8,558 | mp-1087532 | -2.053912 | 2.3035 | CsLuS2 | 0 | ['Cs', 'Lu', 'S'] | # generated using pymatgen
data_CsLuS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03038269
_cell_length_b 4.03038269
_cell_length_c 16.05792400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001139
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_CsLuS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03038269
_cell_length_b 4.03038269
_cell_length_c 16.05792400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,554 | 36,206 | mp-1220337 | -0.234467 | 0 | Nb6AlSb | 0.038168 | ['Al', 'Nb', 'Sb'] | # generated using pymatgen
data_Nb6AlSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26428700
_cell_length_b 5.26428700
_cell_length_c 5.26428700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 200 | 200 | # generated using pymatgen
data_Nb6AlSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26428700
_cell_length_b 5.26428700
_cell_length_c 5.26428700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,555 | 32,538 | mp-1095395 | -2.798833 | 0 | EuVO4 | 0.025925 | ['Eu', 'O', 'V'] | # generated using pymatgen
data_EuVO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.86046412
_cell_length_b 6.86046412
_cell_length_c 6.86046412
_cell_angle_alpha 135.57701834
_cell_angle_beta 135.57701834
_cell_angle_gamma 64.63495376
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 88 | 88 | # generated using pymatgen
data_EuVO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18687400
_cell_length_b 5.18687400
_cell_length_c 11.59554000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,556 | 31,872 | mp-556590 | -2.862161 | 0.1184 | BaFeCuF7 | 0.023835 | ['Ba', 'Cu', 'F', 'Fe'] | # generated using pymatgen
data_BaFeCuF7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.44608948
_cell_length_b 7.44608948
_cell_length_c 5.73360059
_cell_angle_alpha 69.43182152
_cell_angle_beta 69.43182152
_cell_angle_gamma 86.39493327
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 9 | 9 | # generated using pymatgen
data_BaFeCuF7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.85638200
_cell_length_b 10.19391800
_cell_length_c 5.73360059
_cell_angle_alpha 90.00000000
_cell_angle_beta 118.81110590
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,557 | 26,654 | mp-1205355 | -0.967378 | 0 | MoBr3 | 0.010911 | ['Br', 'Mo'] | # generated using pymatgen
data_MoBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.52590036
_cell_length_b 7.52590036
_cell_length_c 6.04706700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000315
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 193 | 193 | # generated using pymatgen
data_MoBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.52590036
_cell_length_b 7.52590036
_cell_length_c 6.04706700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,558 | 20,164 | mp-1221436 | -1.25393 | 1.1308 | MoCl6 | 0.00026 | ['Cl', 'Mo'] | # generated using pymatgen
data_MoCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44610056
_cell_length_b 6.44610056
_cell_length_c 5.85508900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000573
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 162 | 162 | # generated using pymatgen
data_MoCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44610056
_cell_length_b 6.44610056
_cell_length_c 5.85508900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,559 | 10,677 | mp-1226999 | -0.487919 | 0 | Ce2Ga3Cu | 0 | ['Ce', 'Cu', 'Ga'] | # generated using pymatgen
data_Ce2Ga3Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46063146
_cell_length_b 4.46063146
_cell_length_c 7.35475200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999192
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 156 | 156 | # generated using pymatgen
data_Ce2Ga3Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46063146
_cell_length_b 4.46063146
_cell_length_c 7.35475200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,560 | 9,233 | mp-1974 | -0.627746 | 0 | CeB4 | 0 | ['B', 'Ce'] | # generated using pymatgen
data_CeB4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.17377400
_cell_length_b 7.17377400
_cell_length_c 4.07463100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ce... | 127 | 127 | # generated using pymatgen
data_CeB4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.17377400
_cell_length_b 7.17377400
_cell_length_c 4.07463100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ce... |
26,561 | 21,120 | mp-1189034 | -1.64553 | 0 | Cs(TeO3)2 | 0.001278 | ['Cs', 'O', 'Te'] | # generated using pymatgen
data_Cs(TeO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.45973047
_cell_length_b 7.45973047
_cell_length_c 7.45973047
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 227 | 227 | # generated using pymatgen
data_Cs(TeO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.54965200
_cell_length_b 10.54965200
_cell_length_c 10.54965200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,562 | 4,856 | mp-3991 | -0.30101 | 0 | UMoC2 | 0 | ['C', 'Mo', 'U'] | # generated using pymatgen
data_UMoC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.22289900
_cell_length_b 5.63487500
_cell_length_c 11.08585100
_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_UMoC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.22289900
_cell_length_b 5.63487500
_cell_length_c 11.08585100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,563 | 14,639 | mp-1207210 | -1.06574 | 0 | SmSiPt3 | 0 | ['Pt', 'Si', 'Sm'] | # generated using pymatgen
data_SmSiPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09536400
_cell_length_b 4.09536400
_cell_length_c 5.50974400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 99 | 99 | # generated using pymatgen
data_SmSiPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09536400
_cell_length_b 4.09536400
_cell_length_c 5.50974400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,564 | 23,417 | mp-675856 | -2.410716 | 1.4243 | Yb(GdS2)2 | 0.004194 | ['Gd', 'S', 'Yb'] | # generated using pymatgen
data_Yb(GdS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.26570184
_cell_length_b 7.26570184
_cell_length_c 7.26570184
_cell_angle_alpha 109.58722892
_cell_angle_beta 109.58722892
_cell_angle_gamma 109.23945237
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 122 | 122 | # generated using pymatgen
data_Yb(GdS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.37769400
_cell_length_b 8.37769400
_cell_length_c 8.41369000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,565 | 3,351 | mp-510460 | -1.368527 | 1.7899 | CsLaZnTe3 | 0 | ['Cs', 'La', 'Te', 'Zn'] | # generated using pymatgen
data_CsLaZnTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.88004605
_cell_length_b 8.88004605
_cell_length_c 12.26588100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 149.98271285
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 63 | 63 | # generated using pymatgen
data_CsLaZnTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59923800
_cell_length_b 17.15423800
_cell_length_c 12.26588100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,566 | 19,070 | mp-1104424 | -1.274688 | 0.6542 | Ba8Sb4H2O | 0 | ['Ba', 'H', 'O', 'Sb'] | # generated using pymatgen
data_Ba8Sb4H2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 19.33609295
_cell_length_b 19.33609295
_cell_length_c 19.33609295
_cell_angle_alpha 164.35736127
_cell_angle_beta 164.35736127
_cell_angle_gamma 22.19184602
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | 139 | 139 | # generated using pymatgen
data_Ba8Sb4H2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26267400
_cell_length_b 5.26267400
_cell_length_c 37.94926201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,567 | 2,771 | mp-2264 | -0.852698 | 0 | ErGe | 0 | ['Er', 'Ge'] | # generated using pymatgen
data_ErGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73242303
_cell_length_b 5.73242303
_cell_length_c 3.93088400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 136.48353477
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | 63 | 63 | # generated using pymatgen
data_ErGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24991400
_cell_length_b 10.64804800
_cell_length_c 3.93088400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... |
26,568 | 14,263 | mp-1939 | -0.48025 | 0 | ErNi2 | 0 | ['Er', 'Ni'] | # generated using pymatgen
data_ErNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03024592
_cell_length_b 5.03024592
_cell_length_c 5.03024592
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | 227 | 227 | # generated using pymatgen
data_ErNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.11384200
_cell_length_b 7.11384200
_cell_length_c 7.11384200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... |
26,569 | 25,018 | mp-1077322 | -0.287029 | 0 | BaAg2 | 0.008086 | ['Ag', 'Ba'] | # generated using pymatgen
data_BaAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44840606
_cell_length_b 6.44840606
_cell_length_c 6.44840606
_cell_angle_alpha 133.76883656
_cell_angle_beta 100.32372483
_cell_angle_gamma 97.41411499
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 74 | 74 | # generated using pymatgen
data_BaAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06312400
_cell_length_b 8.26196800
_cell_length_c 8.51072400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... |
26,570 | 16,087 | mp-11101 | -0.749801 | 0 | LuInRh | 0 | ['In', 'Lu', 'Rh'] | # generated using pymatgen
data_LuInRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21464800
_cell_length_b 6.92495400
_cell_length_c 8.53950400
_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_LuInRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21464800
_cell_length_b 6.92495400
_cell_length_c 8.53950400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,571 | 3,076 | mp-1106057 | -0.348855 | 0 | Dy(Co2B)6 | 0 | ['B', 'Co', 'Dy'] | # generated using pymatgen
data_Dy(Co2B)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95156683
_cell_length_b 5.95156683
_cell_length_c 5.95156696
_cell_angle_alpha 103.98873115
_cell_angle_beta 103.98873115
_cell_angle_gamma 103.98872138
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 166 | 166 | # generated using pymatgen
data_Dy(Co2B)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.37907636
_cell_length_b 9.37907636
_cell_length_c 7.40871833
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,572 | 7,115 | mp-1189266 | -1.117497 | 0.4891 | KCr3S5 | 0 | ['Cr', 'K', 'S'] | # generated using pymatgen
data_KCr3S5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.53431200
_cell_length_b 9.82796556
_cell_length_c 10.78059954
_cell_angle_alpha 72.34667077
_cell_angle_beta 80.56549851
_cell_angle_gamma 79.64136912
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_KCr3S5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 19.33556999
_cell_length_b 3.53431200
_cell_length_c 12.18807851
_cell_angle_alpha 90.00000000
_cell_angle_beta 123.16403757
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,573 | 2,406 | mp-7049 | -1.233703 | 0.6078 | ZrTlCuS3 | 0 | ['Cu', 'S', 'Tl', 'Zr'] | # generated using pymatgen
data_ZrTlCuS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.43763867
_cell_length_b 7.43763867
_cell_length_c 9.82592600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 150.86797472
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 63 | 63 | # generated using pymatgen
data_ZrTlCuS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74106200
_cell_length_b 14.39716399
_cell_length_c 9.82592600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,574 | 9,242 | mp-20410 | -0.444318 | 0 | Ho(BC)2 | 0 | ['B', 'C', 'Ho'] | # generated using pymatgen
data_Ho(BC)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34733100
_cell_length_b 5.34733100
_cell_length_c 3.53732000
_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_Ho(BC)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34733100
_cell_length_b 5.34733100
_cell_length_c 3.53732000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,575 | 41,628 | mp-1184584 | 0.06254 | 0 | GeAu3 | 0.06254 | ['Au', 'Ge'] | # generated using pymatgen
data_GeAu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.71060113
_cell_length_b 4.71060113
_cell_length_c 4.71060113
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... | 225 | 225 | # generated using pymatgen
data_GeAu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.66179600
_cell_length_b 6.66179600
_cell_length_c 6.66179600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural G... |
26,576 | 10,811 | mp-363 | -0.343359 | 0 | NbGe2 | 0 | ['Nb', 'Ge'] | # generated using pymatgen
data_NbGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01331959
_cell_length_b 5.01331959
_cell_length_c 6.84171200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999455
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 180 | 180 | # generated using pymatgen
data_NbGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01331959
_cell_length_b 5.01331959
_cell_length_c 6.84171200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,577 | 4,593 | mp-1112680 | -1.663996 | 0.4243 | Cs2LiCeI6 | 0 | ['Ce', 'Cs', 'I', 'Li'] | # generated using pymatgen
data_Cs2LiCeI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.67136077
_cell_length_b 8.67136077
_cell_length_c 8.67136077
_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_Cs2LiCeI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.26315601
_cell_length_b 12.26315601
_cell_length_c 12.26315601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,578 | 22,869 | mp-557574 | -0.530997 | 0.042 | Cu2HgGeS4 | 0.003674 | ['Cu', 'Ge', 'Hg', 'S'] | # generated using pymatgen
data_Cu2HgGeS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.36543000
_cell_length_b 6.58450000
_cell_length_c 7.79934300
_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_Cu2HgGeS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.36543000
_cell_length_b 6.58450000
_cell_length_c 7.79934300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,579 | 25,940 | mp-754670 | -2.2799 | 2.4738 | V2O5 | 0.009122 | ['O', 'V'] | # generated using pymatgen
data_V2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63468400
_cell_length_b 6.32489900
_cell_length_c 11.41933100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | 59 | 59 | # generated using pymatgen
data_V2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63468400
_cell_length_b 6.32489900
_cell_length_c 11.41933100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... |
26,580 | 2,984 | mp-973441 | -2.421537 | 1.0603 | La(ErS2)3 | 0 | ['Er', 'La', 'S'] | # generated using pymatgen
data_La(ErS2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99774200
_cell_length_b 11.07134500
_cell_length_c 11.32970602
_cell_angle_alpha 71.22655680
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 11 | 11 | # generated using pymatgen
data_La(ErS2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.07134500
_cell_length_b 3.99774200
_cell_length_c 11.32970602
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.77344320
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,581 | 39,575 | mp-1112170 | -1.728497 | 1.6214 | KInCl3 | 0.053827 | ['Cl', 'In', 'K'] | # generated using pymatgen
data_KInCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.80980914
_cell_length_b 7.80980914
_cell_length_c 7.80980914
_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_KInCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.04473801
_cell_length_b 11.04473801
_cell_length_c 11.04473801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,582 | 25,783 | mp-1227332 | -1.616042 | 2.3954 | Bi2BrClO2 | 0.009567 | ['Bi', 'Br', 'Cl', 'O'] | # generated using pymatgen
data_Bi2BrClO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94743300
_cell_length_b 3.94743300
_cell_length_c 7.84878200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 99 | 99 | # generated using pymatgen
data_Bi2BrClO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94743300
_cell_length_b 3.94743300
_cell_length_c 7.84878200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,583 | 20,991 | mp-998755 | -2.640869 | 5.3613 | RbSrCl3 | 0.000593 | ['Cl', 'Rb', 'Sr'] | # generated using pymatgen
data_RbSrCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.48719533
_cell_length_b 8.48719533
_cell_length_c 8.48719593
_cell_angle_alpha 54.24467122
_cell_angle_beta 54.24467122
_cell_angle_gamma 54.24467668
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 148 | 148 | # generated using pymatgen
data_RbSrCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.73848778
_cell_length_b 7.73848778
_cell_length_c 21.64809035
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,584 | 10,446 | mp-865216 | -0.651099 | 0 | Dy2PdRu | 0 | ['Dy', 'Pd', 'Ru'] | # generated using pymatgen
data_Dy2PdRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88994321
_cell_length_b 4.88994321
_cell_length_c 4.88994321
_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_Dy2PdRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.91542401
_cell_length_b 6.91542401
_cell_length_c 6.91542401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,585 | 13,879 | mp-6402 | -2.072748 | 2.6364 | Na2ZnGeO4 | 0 | ['Ge', 'Na', 'O', 'Zn'] | # generated using pymatgen
data_Na2ZnGeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68000300
_cell_length_b 5.42778400
_cell_length_c 9.02700105
_cell_angle_alpha 52.91393423
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 7 | 7 | # generated using pymatgen
data_Na2ZnGeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42778400
_cell_length_b 5.68000300
_cell_length_c 9.02700105
_cell_angle_alpha 90.00000000
_cell_angle_beta 127.08606577
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,586 | 4,722 | mp-1388 | -0.745118 | 0 | DyRh2 | 0 | ['Dy', 'Rh'] | # generated using pymatgen
data_DyRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34457610
_cell_length_b 5.34457610
_cell_length_c 5.34457610
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural D... | 227 | 227 | # generated using pymatgen
data_DyRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.55837201
_cell_length_b 7.55837201
_cell_length_c 7.55837201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural D... |
26,587 | 12,776 | mp-27639 | -0.353889 | 1.4375 | IBr | 0 | ['I', 'Br'] | # generated using pymatgen
data_IBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00867527
_cell_length_b 5.00867527
_cell_length_c 8.81636000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 114.58021542
_symmetry_Int_Tables_number 1
_chemical_formula_structural IB... | 63 | 63 | # generated using pymatgen
data_IBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41323200
_cell_length_b 8.42877400
_cell_length_c 8.81636000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural IBr... |
26,588 | 646 | mp-12696 | -0.69573 | 0 | YMgPd | 0 | ['Y', 'Mg', 'Pd'] | # generated using pymatgen
data_YMgPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.47137924
_cell_length_b 7.47137924
_cell_length_c 4.09223200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999324
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_YMgPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.47137924
_cell_length_b 7.47137924
_cell_length_c 4.09223200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,589 | 7,971 | mp-9159 | -2.78201 | 0.5983 | Li4NpO5 | 0 | ['Li', 'Np', 'O'] | # generated using pymatgen
data_Li4NpO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26674893
_cell_length_b 5.26674893
_cell_length_c 5.26674893
_cell_angle_alpha 100.24299296
_cell_angle_beta 100.24299296
_cell_angle_gamma 130.11722790
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 87 | 87 | # generated using pymatgen
data_Li4NpO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.75367601
_cell_length_b 6.75367601
_cell_length_c 4.44188000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,590 | 17,423 | mp-7910 | -0.622917 | 1.3954 | Al2HgTe4 | 0 | ['Al', 'Hg', 'Te'] | # generated using pymatgen
data_Al2HgTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.45547066
_cell_length_b 7.45547066
_cell_length_c 7.45547066
_cell_angle_alpha 130.13794112
_cell_angle_beta 130.13794112
_cell_angle_gamma 73.18633940
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 82 | 82 | # generated using pymatgen
data_Al2HgTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.28536400
_cell_length_b 6.28536400
_cell_length_c 11.97182400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,591 | 29,697 | mp-1215521 | -0.322618 | 0 | YbAlCu | 0.017849 | ['Al', 'Cu', 'Yb'] | # generated using pymatgen
data_YbAlCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37526617
_cell_length_b 5.37526617
_cell_length_c 5.37526617
_cell_angle_alpha 119.24560090
_cell_angle_beta 118.11677526
_cell_angle_gamma 92.30251292
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 74 | 74 | # generated using pymatgen
data_YbAlCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43644200
_cell_length_b 5.52754000
_cell_length_c 7.44750600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,592 | 33,483 | mp-982870 | -0.925643 | 0 | HfAlIr2 | 0.027841 | ['Hf', 'Al', 'Ir'] | # generated using pymatgen
data_HfAlIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48578784
_cell_length_b 4.48578784
_cell_length_c 4.48578784
_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_HfAlIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.34386200
_cell_length_b 6.34386200
_cell_length_c 6.34386200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,593 | 27,135 | mp-1190264 | -0.47847 | 0 | Ce5CuSn3 | 0.012021 | ['Ce', 'Cu', 'Sn'] | # generated using pymatgen
data_Ce5CuSn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44920600
_cell_length_b 9.47945402
_cell_length_c 9.47739576
_cell_angle_alpha 120.00718914
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 193 | 193 | # generated using pymatgen
data_Ce5CuSn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.47739542
_cell_length_b 9.47739542
_cell_length_c 6.44920600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,594 | 18,810 | mp-3791 | -0.409695 | 0 | ScCo2Sn | 0 | ['Sc', 'Co', 'Sn'] | # generated using pymatgen
data_ScCo2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39297300
_cell_length_b 4.39297300
_cell_length_c 4.39297300
_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_ScCo2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.21260200
_cell_length_b 6.21260200
_cell_length_c 6.21260200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,595 | 32,948 | mp-775331 | -2.467005 | 1.4973 | LiVO2 | 0.026777 | ['Li', 'V', 'O'] | # generated using pymatgen
data_LiVO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25427617
_cell_length_b 7.76457906
_cell_length_c 5.26102891
_cell_angle_alpha 86.72019242
_cell_angle_beta 113.81046586
_cell_angle_gamma 74.06577110
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 74 | 74 | # generated using pymatgen
data_LiVO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03679771
_cell_length_b 4.25427617
_cell_length_c 8.73839376
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... |
26,596 | 10,314 | mp-28747 | -1.164592 | 0 | Y3RuI3 | 0 | ['I', 'Ru', 'Y'] | # generated using pymatgen
data_Y3RuI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25448100
_cell_length_b 8.89334400
_cell_length_c 12.34491505
_cell_angle_alpha 86.21485049
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 11 | 11 | # generated using pymatgen
data_Y3RuI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.89334400
_cell_length_b 4.25448100
_cell_length_c 12.34491505
_cell_angle_alpha 90.00000000
_cell_angle_beta 93.78514951
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,597 | 13,822 | mp-510126 | -0.550279 | 0 | Ce3Ni2Sn7 | 0 | ['Ce', 'Ni', 'Sn'] | # generated using pymatgen
data_Ce3Ni2Sn7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.84644986
_cell_length_b 13.84644986
_cell_length_c 4.59159600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 160.79986646
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 65 | 65 | # generated using pymatgen
data_Ce3Ni2Sn7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61834200
_cell_length_b 27.30508400
_cell_length_c 4.59159600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,598 | 15,195 | mp-1224706 | -2.904839 | 2.5183 | Gd2GeMoO8 | 0 | ['Gd', 'Ge', 'Mo', 'O'] | # generated using pymatgen
data_Gd2GeMoO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.73859832
_cell_length_b 6.73859832
_cell_length_c 6.73859832
_cell_angle_alpha 134.64093333
_cell_angle_beta 134.64093333
_cell_angle_gamma 66.08862287
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 82 | 82 | # generated using pymatgen
data_Gd2GeMoO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19649000
_cell_length_b 5.19649000
_cell_length_c 11.29724801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,599 | 10,806 | mp-34022 | -2.671623 | 2.5338 | Mg2SnO4 | 0 | ['Mg', 'O', 'Sn'] | # generated using pymatgen
data_Mg2SnO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.18023194
_cell_length_b 6.18023194
_cell_length_c 6.18023194
_cell_angle_alpha 120.61164352
_cell_angle_beta 118.71278093
_cell_angle_gamma 90.59385428
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 74 | 74 | # generated using pymatgen
data_Mg2SnO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.12300800
_cell_length_b 6.30008400
_cell_length_c 8.69475600
_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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