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 |
|---|---|---|---|---|---|---|---|---|---|---|---|
26,000 | 38,776 | mp-1282494 | -2.533485 | 1.3443 | SrCrO2 | 0.048639 | ['Cr', 'O', 'Sr'] | # generated using pymatgen
data_SrCrO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35285619
_cell_length_b 6.72403553
_cell_length_c 6.72402587
_cell_angle_alpha 74.47488095
_cell_angle_beta 82.76853795
_cell_angle_gamma 82.76860045
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 65 | 65 | # generated using pymatgen
data_SrCrO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.94613751
_cell_length_b 8.14687301
_cell_length_c 4.06884200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,001 | 35,508 | mp-1024962 | -0.148253 | 0 | HoInCo4 | 0.036644 | ['Co', 'Ho', 'In'] | # generated using pymatgen
data_HoInCo4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97146130
_cell_length_b 4.97146130
_cell_length_c 4.97146130
_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_HoInCo4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.03070800
_cell_length_b 7.03070800
_cell_length_c 7.03070800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,002 | 33,137 | mp-1206492 | -2.486156 | 4.7232 | Cs3HoCl6 | 0.027286 | ['Cl', 'Cs', 'Ho'] | # generated using pymatgen
data_Cs3HoCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.41531599
_cell_length_b 8.41531599
_cell_length_c 8.41531599
_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_Cs3HoCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.90105400
_cell_length_b 11.90105400
_cell_length_c 11.90105400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,003 | 8,778 | mp-20995 | -1.230255 | 0 | Eu4As3 | 0 | ['As', 'Eu'] | # generated using pymatgen
data_Eu4As3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.95563325
_cell_length_b 7.95563325
_cell_length_c 7.95563325
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 220 | 220 | # generated using pymatgen
data_Eu4As3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.18637400
_cell_length_b 9.18637400
_cell_length_c 9.18637400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,004 | 11,596 | mp-1173715 | -1.767387 | 3.0356 | NaCo2H3(SO5)2 | 0 | ['Co', 'H', 'Na', 'O', 'S'] | # generated using pymatgen
data_NaCo2H3(SO5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42282258
_cell_length_b 5.42696004
_cell_length_c 7.46048888
_cell_angle_alpha 69.35038159
_cell_angle_beta 69.39276634
_cell_angle_gamma 72.45948052
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 8 | 8 | # generated using pymatgen
data_NaCo2H3(SO5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.75201699
_cell_length_b 6.41248771
_cell_length_c 7.46048888
_cell_angle_alpha 90.00000000
_cell_angle_beta 115.89671151
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... |
26,005 | 9,825 | mp-30551 | -0.24106 | 0 | GaFeCo2 | 0 | ['Ga', 'Fe', 'Co'] | # generated using pymatgen
data_GaFeCo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03653745
_cell_length_b 4.03653745
_cell_length_c 4.03653745
_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_GaFeCo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.70852601
_cell_length_b 5.70852601
_cell_length_c 5.70852601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,006 | 39,109 | mp-1173949 | -1.906279 | 0.6658 | Li2MnCoO4 | 0.049901 | ['Co', 'Li', 'Mn', 'O'] | # generated using pymatgen
data_Li2MnCoO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.07135213
_cell_length_b 6.07135213
_cell_length_c 5.43157921
_cell_angle_alpha 67.94305599
_cell_angle_beta 67.94305599
_cell_angle_gamma 55.56913805
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 15 | 15 | # generated using pymatgen
data_Li2MnCoO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.74273001
_cell_length_b 5.66030200
_cell_length_c 5.43157921
_cell_angle_alpha 90.00000000
_cell_angle_beta 115.11687112
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,007 | 5,751 | mp-20311 | -0.507913 | 0 | FeSe | 0 | ['Fe', 'Se'] | # generated using pymatgen
data_FeSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68890500
_cell_length_b 3.68890500
_cell_length_c 5.85419400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe... | 129 | 129 | # generated using pymatgen
data_FeSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68890500
_cell_length_b 3.68890500
_cell_length_c 5.85419400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe... |
26,008 | 4,857 | mp-4001 | -1.785029 | 0 | BaTaS3 | 0 | ['Ba', 'Ta', 'S'] | # generated using pymatgen
data_BaTaS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.94521917
_cell_length_b 6.94521917
_cell_length_c 5.75280500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999212
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_BaTaS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.94521917
_cell_length_b 6.94521917
_cell_length_c 5.75280500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,009 | 7,875 | mp-557668 | -2.199607 | 1.8636 | MnPtF6 | 0 | ['Mn', 'Pt', 'F'] | # generated using pymatgen
data_MnPtF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65058691
_cell_length_b 5.65058691
_cell_length_c 5.65058597
_cell_angle_alpha 56.66770662
_cell_angle_beta 56.66770662
_cell_angle_gamma 56.66771182
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 148 | 148 | # generated using pymatgen
data_MnPtF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36363155
_cell_length_b 5.36363155
_cell_length_c 14.17944056
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,010 | 32,551 | mp-1104106 | -0.661731 | 0 | Ho3Ga9Pt2 | 0.025952 | ['Ga', 'Ho', 'Pt'] | # generated using pymatgen
data_Ho3Ga9Pt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.16178764
_cell_length_b 8.16178764
_cell_length_c 8.16178764
_cell_angle_alpha 149.62482561
_cell_angle_beta 107.92720588
_cell_angle_gamma 80.18070843
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 71 | 71 | # generated using pymatgen
data_Ho3Ga9Pt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27645200
_cell_length_b 9.60314400
_cell_length_c 12.48802200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,011 | 43,844 | mp-753097 | -2.284656 | 1.35 | Fe2OF3 | 0.071983 | ['F', 'Fe', 'O'] | # generated using pymatgen
data_Fe2OF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.77720242
_cell_length_b 5.77720242
_cell_length_c 7.63269796
_cell_angle_alpha 70.27819572
_cell_angle_beta 70.27819572
_cell_angle_gamma 72.13089523
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 5 | 5 | # generated using pymatgen
data_Fe2OF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.33994600
_cell_length_b 6.80218200
_cell_length_c 7.63269796
_cell_angle_alpha 90.00000000
_cell_angle_beta 114.67446989
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,012 | 23,710 | mp-1222859 | -3.044938 | 3.9207 | Li2La3Nd(SbO6)2 | 0.005489 | ['La', 'Li', 'Nd', 'O', 'Sb'] | # generated using pymatgen
data_Li2La3Nd(SbO6)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65100800
_cell_length_b 5.78503246
_cell_length_c 8.07210135
_cell_angle_alpha 90.00611685
_cell_angle_beta 90.38187525
_cell_angle_gamma 90.16318085
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | 1 | 1 | # generated using pymatgen
data_Li2La3Nd(SbO6)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65100800
_cell_length_b 5.78503246
_cell_length_c 8.07210135
_cell_angle_alpha 90.00611685
_cell_angle_beta 90.38187525
_cell_angle_gamma 90.16318085
_symmetry_Int_Tables_number 1
_chemical_formula_stru... |
26,013 | 29,656 | mp-1187932 | -0.484348 | 0 | Yb2TlGa | 0.01806 | ['Ga', 'Tl', 'Yb'] | # generated using pymatgen
data_Yb2TlGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31214959
_cell_length_b 5.31214959
_cell_length_c 5.31214959
_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_Yb2TlGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.51251400
_cell_length_b 7.51251400
_cell_length_c 7.51251400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,014 | 40,460 | mp-781677 | -2.138185 | 0 | Mn3(O2F)2 | 0.055143 | ['F', 'Mn', 'O'] | # generated using pymatgen
data_Mn3(O2F)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51845600
_cell_length_b 5.57439278
_cell_length_c 7.21038139
_cell_angle_alpha 72.80694726
_cell_angle_beta 72.53218752
_cell_angle_gamma 72.09665710
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 2 | 2 | # generated using pymatgen
data_Mn3(O2F)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51845600
_cell_length_b 5.57439278
_cell_length_c 7.21038139
_cell_angle_alpha 72.80694726
_cell_angle_beta 72.53218752
_cell_angle_gamma 72.09665710
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,015 | 26,437 | mp-7897 | -0.207519 | 0.2138 | K3P | 0.010463 | ['K', 'P'] | # generated using pymatgen
data_K3P
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73953825
_cell_length_b 5.73953825
_cell_length_c 10.14723200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000286
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... | 194 | 194 | # generated using pymatgen
data_K3P
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73953825
_cell_length_b 5.73953825
_cell_length_c 10.14723200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... |
26,016 | 20,377 | mp-6013 | -0.972291 | 1.7168 | KTa(CuSe2)2 | 0.000183 | ['Cu', 'K', 'Se', 'Ta'] | # generated using pymatgen
data_KTa(CuSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.05068467
_cell_length_b 10.05068467
_cell_length_c 7.81533300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 146.90191819
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | 40 | 40 | # generated using pymatgen
data_KTa(CuSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.72559200
_cell_length_b 19.26869600
_cell_length_c 7.81533300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,017 | 4,858 | mp-4026 | -1.186772 | 1.1852 | KCrS2 | 0 | ['K', 'Cr', 'S'] | # generated using pymatgen
data_KCrS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38768199
_cell_length_b 7.38768199
_cell_length_c 7.38768247
_cell_angle_alpha 28.79721823
_cell_angle_beta 28.79721823
_cell_angle_gamma 28.79721671
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... | 166 | 166 | # generated using pymatgen
data_KCrS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.67413615
_cell_length_b 3.67413615
_cell_length_c 21.22976207
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,018 | 44,329 | mp-41057 | -2.265353 | 0 | BaLaCuRuO6 | 0.075707 | ['Ba', 'Cu', 'La', 'O', 'Ru'] | # generated using pymatgen
data_BaLaCuRuO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80606157
_cell_length_b 5.80606157
_cell_length_c 5.80606157
_cell_angle_alpha 123.29561419
_cell_angle_beta 123.29561419
_cell_angle_gamma 84.38072643
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 82 | 82 | # generated using pymatgen
data_BaLaCuRuO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51448200
_cell_length_b 5.51448200
_cell_length_c 8.60362600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,019 | 3,263 | mp-20603 | -0.245909 | 0 | CeTl3 | 0 | ['Ce', 'Tl'] | # generated using pymatgen
data_CeTl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82613700
_cell_length_b 4.82613700
_cell_length_c 4.82613700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | 221 | 221 | # generated using pymatgen
data_CeTl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82613700
_cell_length_b 4.82613700
_cell_length_c 4.82613700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... |
26,020 | 27,766 | mp-1226036 | -0.520406 | 0.7161 | CoAsSe | 0.012891 | ['As', 'Co', 'Se'] | # generated using pymatgen
data_CoAsSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.77229600
_cell_length_b 5.77229600
_cell_length_c 5.77229600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 198 | 198 | # generated using pymatgen
data_CoAsSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.77229600
_cell_length_b 5.77229600
_cell_length_c 5.77229600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,021 | 29,773 | mp-1222122 | -1.565139 | 2.767 | Mg2SeS | 0.018304 | ['Mg', 'S', 'Se'] | # generated using pymatgen
data_Mg2SeS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13451133
_cell_length_b 5.84661800
_cell_length_c 4.13451133
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 115 | 115 | # generated using pymatgen
data_Mg2SeS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13451133
_cell_length_b 4.13451133
_cell_length_c 5.84661800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,022 | 31,354 | mp-34680 | -2.332389 | 0 | SrNd5S8 | 0.021379 | ['Nd', 'S', 'Sr'] | # generated using pymatgen
data_SrNd5S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.48372004
_cell_length_b 7.48372004
_cell_length_c 7.48372004
_cell_angle_alpha 109.48423083
_cell_angle_beta 109.48423083
_cell_angle_gamma 109.44520337
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 82 | 82 | # generated using pymatgen
data_SrNd5S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.64006800
_cell_length_b 8.64006800
_cell_length_c 8.64423000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,023 | 9,558 | mp-1103691 | -0.39131 | 0 | Er5Ru2 | 0 | ['Er', 'Ru'] | # generated using pymatgen
data_Er5Ru2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.26147700
_cell_length_b 7.26050295
_cell_length_c 8.38790412
_cell_angle_alpha 96.74518021
_cell_angle_beta 111.91584575
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_Er5Ru2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.56347199
_cell_length_b 6.26147700
_cell_length_c 7.26050295
_cell_angle_alpha 90.00000000
_cell_angle_beta 97.27334078
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,024 | 31,270 | mp-1225633 | -0.118491 | 0 | ErMn2(Fe2Sn3)2 | 0.022621 | ['Er', 'Fe', 'Mn', 'Sn'] | # generated using pymatgen
data_ErMn2(Fe2Sn3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42473081
_cell_length_b 5.42983221
_cell_length_c 9.00768200
_cell_angle_alpha 90.00039713
_cell_angle_beta 90.00054381
_cell_angle_gamma 60.28175343
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | 35 | 35 | # generated using pymatgen
data_ErMn2(Fe2Sn3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45038004
_cell_length_b 9.38695487
_cell_length_c 9.00768200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... |
26,025 | 7,810 | mp-28383 | -1.238193 | 2.4867 | KNaS | 0 | ['K', 'Na', 'S'] | # generated using pymatgen
data_KNaS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66324700
_cell_length_b 7.84497300
_cell_length_c 8.43378500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KN... | 62 | 62 | # generated using pymatgen
data_KNaS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66324700
_cell_length_b 7.84497300
_cell_length_c 8.43378500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KN... |
26,026 | 12,348 | mp-551675 | -2.948548 | 0.3877 | Li3UO4 | 0 | ['Li', 'U', 'O'] | # generated using pymatgen
data_Li3UO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29996698
_cell_length_b 5.29996698
_cell_length_c 5.29996698
_cell_angle_alpha 129.84239819
_cell_angle_beta 129.84239819
_cell_angle_gamma 73.65884296
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_Li3UO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49293400
_cell_length_b 4.49293400
_cell_length_c 8.48443800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,027 | 12,247 | mp-20792 | -0.725607 | 0 | Ca2InPd2 | 0 | ['Ca', 'In', 'Pd'] | # generated using pymatgen
data_Ca2InPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88471652
_cell_length_b 5.88471652
_cell_length_c 8.23659802
_cell_angle_alpha 77.17790279
_cell_angle_beta 77.17790279
_cell_angle_gamma 58.73857835
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_Ca2InPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.25678799
_cell_length_b 5.77216200
_cell_length_c 8.23659802
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.75305067
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,028 | 407 | mp-1018148 | -0.81758 | 0 | ScAu2 | 0 | ['Sc', 'Au'] | # generated using pymatgen
data_ScAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10119778
_cell_length_b 5.10119778
_cell_length_c 5.10119778
_cell_angle_alpha 139.10629835
_cell_angle_beta 139.10629835
_cell_angle_gamma 59.21280547
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_ScAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.56408800
_cell_length_b 3.56408800
_cell_length_c 8.87036801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... |
26,029 | 28,611 | mp-1185496 | -0.927967 | 0 | LuHfRh2 | 0.015937 | ['Hf', 'Lu', 'Rh'] | # generated using pymatgen
data_LuHfRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68798502
_cell_length_b 4.68798502
_cell_length_c 4.68798502
_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_LuHfRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.62981200
_cell_length_b 6.62981200
_cell_length_c 6.62981200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,030 | 2,968 | mp-867823 | -1.156454 | 0.9326 | RbTaGeS5 | 0 | ['Ge', 'Rb', 'S', 'Ta'] | # generated using pymatgen
data_RbTaGeS5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.02748100
_cell_length_b 7.22185815
_cell_length_c 9.19454109
_cell_angle_alpha 69.37528186
_cell_angle_beta 78.37007555
_cell_angle_gamma 75.82687490
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 2 | 2 | # generated using pymatgen
data_RbTaGeS5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.02748100
_cell_length_b 7.22185815
_cell_length_c 9.19454109
_cell_angle_alpha 69.37528186
_cell_angle_beta 78.37007555
_cell_angle_gamma 75.82687490
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,031 | 38,830 | mp-28073 | -2.674525 | 0 | UCuO4 | 0.047858 | ['Cu', 'O', 'U'] | # generated using pymatgen
data_UCuO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02529700
_cell_length_b 5.51773200
_cell_length_c 6.27100084
_cell_angle_alpha 68.27243629
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural U... | 14 | 14 | # generated using pymatgen
data_UCuO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51773200
_cell_length_b 5.02529700
_cell_length_c 6.27100084
_cell_angle_alpha 90.00000000
_cell_angle_beta 111.72756371
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,032 | 20,721 | mp-1226577 | -4.27947 | 1.7513 | CeTh4O10 | 0.000454 | ['Ce', 'O', 'Th'] | # generated using pymatgen
data_CeTh4O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.24769424
_cell_length_b 14.24769424
_cell_length_c 14.24769424
_cell_angle_alpha 164.04928834
_cell_angle_beta 164.04928834
_cell_angle_gamma 22.63178128
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 139 | 139 | # generated using pymatgen
data_CeTh4O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.95365400
_cell_length_b 3.95365400
_cell_length_c 27.94144600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,033 | 16,961 | mp-865503 | -0.296215 | 0 | YCdAg2 | 0 | ['Y', 'Cd', 'Ag'] | # generated using pymatgen
data_YCdAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96457691
_cell_length_b 4.96457691
_cell_length_c 4.96457691
_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_YCdAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.02097200
_cell_length_b 7.02097200
_cell_length_c 7.02097200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,034 | 12,177 | mp-1219924 | -0.876142 | 1.4532 | PRhS | 0 | ['P', 'Rh', 'S'] | # generated using pymatgen
data_PRhS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.69570800
_cell_length_b 5.69570800
_cell_length_c 5.69570800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PR... | 198 | 198 | # generated using pymatgen
data_PRhS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.69570800
_cell_length_b 5.69570800
_cell_length_c 5.69570800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PR... |
26,035 | 23,178 | mp-1217693 | -0.247785 | 0 | Tb2Co3Ni | 0.004698 | ['Co', 'Ni', 'Tb'] | # generated using pymatgen
data_Tb2Co3Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16272751
_cell_length_b 5.16272751
_cell_length_c 5.16272653
_cell_angle_alpha 57.91929090
_cell_angle_beta 57.91929090
_cell_angle_gamma 57.91928981
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_Tb2Co3Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99951780
_cell_length_b 4.99951780
_cell_length_c 12.84127077
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,036 | 5,919 | mp-7895 | -1.232986 | 1.8383 | Rb2O2 | 0 | ['O', 'Rb'] | # generated using pymatgen
data_Rb2O2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16756296
_cell_length_b 5.16756296
_cell_length_c 5.16756296
_cell_angle_alpha 131.22177168
_cell_angle_beta 108.08950395
_cell_angle_gamma 91.74907523
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 71 | 71 | # generated using pymatgen
data_Rb2O2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26769800
_cell_length_b 6.06830200
_cell_length_c 7.19564399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural R... |
26,037 | 31,164 | mp-1207694 | -0.881037 | 0 | TmSbIr | 0.022109 | ['Ir', 'Sb', 'Tm'] | # generated using pymatgen
data_TmSbIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.47007300
_cell_length_b 7.11044400
_cell_length_c 7.97878200
_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_TmSbIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.47007300
_cell_length_b 7.11044400
_cell_length_c 7.97878200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,038 | 27,549 | mp-1104146 | -0.212289 | 0 | Er(Al2Cr)4 | 0.013441 | ['Al', 'Cr', 'Er'] | # generated using pymatgen
data_Er(Al2Cr)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06287300
_cell_length_b 6.77492974
_cell_length_c 6.77492974
_cell_angle_alpha 81.97456953
_cell_angle_beta 68.05924213
_cell_angle_gamma 68.05924213
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 139 | 139 | # generated using pymatgen
data_Er(Al2Cr)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.88723801
_cell_length_b 8.88723801
_cell_length_c 5.06287300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,039 | 2,137 | mp-1188344 | -2.202663 | 5.1162 | CsLiCl2 | 0 | ['Cl', 'Cs', 'Li'] | # generated using pymatgen
data_CsLiCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.85620113
_cell_length_b 7.85620113
_cell_length_c 9.86451491
_cell_angle_alpha 86.82078921
_cell_angle_beta 86.82078921
_cell_angle_gamma 124.16389721
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_CsLiCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.35667600
_cell_length_b 13.88376401
_cell_length_c 9.86451491
_cell_angle_alpha 90.00000000
_cell_angle_beta 96.80265148
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,040 | 34,983 | mp-989593 | -0.781012 | 0 | LaTcN3 | 0.033603 | ['La', 'N', 'Tc'] | # generated using pymatgen
data_LaTcN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57893991
_cell_length_b 5.57893991
_cell_length_c 5.57894042
_cell_angle_alpha 60.50393108
_cell_angle_beta 60.50393108
_cell_angle_gamma 60.50392938
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 167 | 167 | # generated using pymatgen
data_LaTcN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62138020
_cell_length_b 5.62138020
_cell_length_c 13.61328041
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,041 | 18,640 | mp-1207186 | -1.655914 | 1.5376 | DyHSe | 0 | ['Dy', 'H', 'Se'] | # generated using pymatgen
data_DyHSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.84430047
_cell_length_b 3.84430047
_cell_length_c 3.90686000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000805
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 187 | 187 | # generated using pymatgen
data_DyHSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.84430047
_cell_length_b 3.84430047
_cell_length_c 3.90686000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,042 | 27,959 | mp-945184 | -1.110072 | 0.243 | YCuTe2 | 0.012893 | ['Y', 'Cu', 'Te'] | # generated using pymatgen
data_YCuTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35275100
_cell_length_b 6.92846500
_cell_length_c 7.50310478
_cell_angle_alpha 89.39319489
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 10 | 10 | # generated using pymatgen
data_YCuTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.92846500
_cell_length_b 4.35275100
_cell_length_c 7.50310478
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.60680511
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,043 | 563 | mp-1190028 | -0.656037 | 0 | TmAl3Ni2 | 0 | ['Al', 'Ni', 'Tm'] | # generated using pymatgen
data_TmAl3Ni2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.93496280
_cell_length_b 8.93496280
_cell_length_c 4.00315800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000594
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 191 | 191 | # generated using pymatgen
data_TmAl3Ni2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.93496280
_cell_length_b 8.93496280
_cell_length_c 4.00315800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,044 | 19,036 | mp-1078973 | -0.587571 | 0.1833 | Sr(InP)2 | 0 | ['In', 'P', 'Sr'] | # generated using pymatgen
data_Sr(InP)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.15266578
_cell_length_b 4.15266578
_cell_length_c 18.03850900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999656
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 194 | 194 | # generated using pymatgen
data_Sr(InP)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.15266578
_cell_length_b 4.15266578
_cell_length_c 18.03850900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,045 | 28,234 | mp-1223869 | -2.213631 | 4.9689 | K4NaCl5 | 0.014878 | ['Cl', 'K', 'Na'] | # generated using pymatgen
data_K4NaCl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.65932357
_cell_length_b 7.65932357
_cell_length_c 10.84744773
_cell_angle_alpha 61.78738201
_cell_angle_beta 61.78738201
_cell_angle_gamma 33.46316877
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_K4NaCl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.67011600
_cell_length_b 4.41006200
_cell_length_c 10.84744773
_cell_angle_alpha 90.00000000
_cell_angle_beta 119.58035873
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,046 | 42,846 | mp-675172 | -3.334315 | 1.8196 | TaAlO4 | 0.067772 | ['Ta', 'Al', 'O'] | # generated using pymatgen
data_TaAlO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59943469
_cell_length_b 4.59943469
_cell_length_c 3.01394800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.98010126
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 65 | 65 | # generated using pymatgen
data_TaAlO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44871200
_cell_length_b 6.55997800
_cell_length_c 3.01394800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,047 | 21,531 | mp-1072086 | -1.381413 | 0 | TaS2 | 0.002383 | ['S', 'Ta'] | # generated using pymatgen
data_TaS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.34462370
_cell_length_b 3.34462370
_cell_length_c 17.69102200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999400
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_TaS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.34462370
_cell_length_b 3.34462370
_cell_length_c 17.69102200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,048 | 9,933 | mp-862928 | -0.339468 | 0 | LiPmTl2 | 0 | ['Li', 'Pm', 'Tl'] | # generated using pymatgen
data_LiPmTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28019402
_cell_length_b 5.28019402
_cell_length_c 5.28019402
_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_LiPmTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.46732200
_cell_length_b 7.46732200
_cell_length_c 7.46732200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,049 | 39,981 | mp-977445 | -0.478389 | 0 | Nd2ZnIr | 0.053915 | ['Nd', 'Zn', 'Ir'] | # generated using pymatgen
data_Nd2ZnIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10050971
_cell_length_b 5.10050971
_cell_length_c 5.10050971
_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_Nd2ZnIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.21321001
_cell_length_b 7.21321001
_cell_length_c 7.21321001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,050 | 37,820 | mp-20414 | -0.883568 | 0 | U7Te12 | 0.043474 | ['Te', 'U'] | # generated using pymatgen
data_U7Te12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.42108735
_cell_length_b 12.42108735
_cell_length_c 4.19090600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999654
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 174 | 174 | # generated using pymatgen
data_U7Te12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.42108735
_cell_length_b 12.42108735
_cell_length_c 4.19090600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,051 | 20,802 | mp-27634 | -1.658215 | 2.7916 | TiBr4 | 0.000565 | ['Br', 'Ti'] | # generated using pymatgen
data_TiBr4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.44178400
_cell_length_b 11.21654900
_cell_length_c 11.21976926
_cell_angle_alpha 78.59766486
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 14 | 14 | # generated using pymatgen
data_TiBr4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.21654900
_cell_length_b 7.44178400
_cell_length_c 11.21976926
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.40233514
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,052 | 26,086 | mp-1185205 | -0.269431 | 0 | Li3Hg | 0.010498 | ['Hg', 'Li'] | # generated using pymatgen
data_Li3Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.87625825
_cell_length_b 5.87625825
_cell_length_c 4.77017200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000285
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_Li3Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.87625825
_cell_length_b 5.87625825
_cell_length_c 4.77017200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,053 | 35,885 | mp-696580 | -1.512924 | 1.2387 | FeHO2 | 0.036809 | ['Fe', 'H', 'O'] | # generated using pymatgen
data_FeHO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.09552900
_cell_length_b 7.81903580
_cell_length_c 6.19930713
_cell_angle_alpha 89.84615897
_cell_angle_beta 75.54276862
_cell_angle_gamma 89.99936334
_symmetry_Int_Tables_number 1
_chemical_formula_structural F... | 63 | 63 | # generated using pymatgen
data_FeHO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.09552900
_cell_length_b 12.00600306
_cell_length_c 3.90951790
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,054 | 1,117 | mp-1186792 | -0.122525 | 0 | PuHg3 | 0 | ['Hg', 'Pu'] | # generated using pymatgen
data_PuHg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20860512
_cell_length_b 5.20860512
_cell_length_c 5.20860512
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | 225 | 225 | # generated using pymatgen
data_PuHg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.36608000
_cell_length_b 7.36608000
_cell_length_c 7.36608000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... |
26,055 | 2,179 | mp-1208310 | -0.978546 | 0 | TbSiPd2 | 0 | ['Pd', 'Si', 'Tb'] | # generated using pymatgen
data_TbSiPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57184600
_cell_length_b 6.99184100
_cell_length_c 7.38561800
_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_TbSiPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57184600
_cell_length_b 6.99184100
_cell_length_c 7.38561800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,056 | 11,831 | mp-37458 | -2.291947 | 1.3921 | Na2HF4 | 0 | ['F', 'H', 'Na'] | # generated using pymatgen
data_Na2HF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.58813400
_cell_length_b 4.79235700
_cell_length_c 6.00182773
_cell_angle_alpha 69.47520511
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 10 | 10 | # generated using pymatgen
data_Na2HF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79235700
_cell_length_b 3.58813400
_cell_length_c 6.00182773
_cell_angle_alpha 90.00000000
_cell_angle_beta 110.52479489
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,057 | 5,070 | mp-1104687 | -0.679721 | 0 | Ho5Ir2 | 0 | ['Ho', 'Ir'] | # generated using pymatgen
data_Ho5Ir2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.48531200
_cell_length_b 7.17022859
_cell_length_c 8.45997631
_cell_angle_alpha 96.29114780
_cell_angle_beta 112.53785463
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_Ho5Ir2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.62771656
_cell_length_b 6.48531200
_cell_length_c 7.17022859
_cell_angle_alpha 90.00000000
_cell_angle_beta 96.81372553
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,058 | 41,353 | mp-5584 | -0.870654 | 0 | Ga(MoSe2)4 | 0.059842 | ['Ga', 'Mo', 'Se'] | # generated using pymatgen
data_Ga(MoSe2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.28172058
_cell_length_b 7.28172058
_cell_length_c 7.28172058
_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_Ga(MoSe2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.29790800
_cell_length_b 10.29790800
_cell_length_c 10.29790800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
26,059 | 6,926 | mp-7988 | -1.188413 | 0.6219 | Cs2O | 0 | ['Cs', 'O'] | # generated using pymatgen
data_Cs2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.75115497
_cell_length_b 7.75115497
_cell_length_c 7.75115464
_cell_angle_alpha 31.91177742
_cell_angle_beta 31.91177742
_cell_angle_gamma 31.91177921
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cs... | 166 | 166 | # generated using pymatgen
data_Cs2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26154184
_cell_length_b 4.26154184
_cell_length_c 22.05088206
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,060 | 20,231 | mp-19875 | -0.819499 | 0 | GdSiRu | 0 | ['Gd', 'Ru', 'Si'] | # generated using pymatgen
data_GdSiRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22861400
_cell_length_b 4.22861400
_cell_length_c 6.62255200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 129 | 129 | # generated using pymatgen
data_GdSiRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22861400
_cell_length_b 4.22861400
_cell_length_c 6.62255200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,061 | 22,850 | mp-505130 | -2.354138 | 4.1796 | CsReO4 | 0.003641 | ['Cs', 'O', 'Re'] | # generated using pymatgen
data_CsReO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.65560795
_cell_length_b 8.65560795
_cell_length_c 8.65560795
_cell_angle_alpha 138.98668248
_cell_angle_beta 138.98668248
_cell_angle_gamma 59.39515908
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 141 | 141 | # generated using pymatgen
data_CsReO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.06440000
_cell_length_b 6.06440000
_cell_length_c 15.03743001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,062 | 38,503 | mp-1017988 | -3.142695 | 3.3345 | SrCaO2 | 0.048858 | ['Ca', 'O', 'Sr'] | # generated using pymatgen
data_SrCaO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.56614100
_cell_length_b 3.56614100
_cell_length_c 5.04028500
_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_SrCaO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.56614100
_cell_length_b 3.56614100
_cell_length_c 5.04028500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,063 | 14,508 | mp-1018740 | -0.665867 | 0 | LaCoSi | 0 | ['Co', 'La', 'Si'] | # generated using pymatgen
data_LaCoSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04818700
_cell_length_b 4.04818700
_cell_length_c 7.34250900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 129 | 129 | # generated using pymatgen
data_LaCoSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04818700
_cell_length_b 4.04818700
_cell_length_c 7.34250900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,064 | 19,684 | mp-1223006 | -0.339823 | 0 | LaAl2Ag3 | 0 | ['Ag', 'Al', 'La'] | # generated using pymatgen
data_LaAl2Ag3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.60920741
_cell_length_b 5.60920741
_cell_length_c 4.57215200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.96102961
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 65 | 65 | # generated using pymatgen
data_LaAl2Ag3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52753200
_cell_length_b 9.76213200
_cell_length_c 4.57215200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,065 | 23,835 | mp-3379 | -2.920628 | 4.7799 | K2SbF5 | 0.005285 | ['F', 'K', 'Sb'] | # generated using pymatgen
data_K2SbF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.72548300
_cell_length_b 7.72548300
_cell_length_c 6.63466900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 131.05327452
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_K2SbF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.40087400
_cell_length_b 14.06275799
_cell_length_c 6.63466900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,066 | 17,352 | mp-5528 | -0.522417 | 0 | Ni3(SnS)2 | 0 | ['Ni', 'Sn', 'S'] | # generated using pymatgen
data_Ni3(SnS)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43680906
_cell_length_b 5.43680906
_cell_length_c 5.43680868
_cell_angle_alpha 61.25181473
_cell_angle_beta 61.25181473
_cell_angle_gamma 61.25182183
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 166 | 166 | # generated using pymatgen
data_Ni3(SnS)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53935361
_cell_length_b 5.53935361
_cell_length_c 13.19002318
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,067 | 19,845 | mp-5618 | -2.283722 | 3.058 | Mg2As2O7 | 0 | ['Mg', 'As', 'O'] | # generated using pymatgen
data_Mg2As2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.46197930
_cell_length_b 5.46197930
_cell_length_c 4.84531105
_cell_angle_alpha 82.00590686
_cell_angle_beta 82.00590686
_cell_angle_gamma 105.36117493
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 12 | 12 | # generated using pymatgen
data_Mg2As2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.62273600
_cell_length_b 8.68747600
_cell_length_c 4.84531105
_cell_angle_alpha 90.00000000
_cell_angle_beta 103.26130815
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,068 | 2,382 | mp-568139 | -0.6847 | 0 | NdInAu2 | 0 | ['Nd', 'In', 'Au'] | # generated using pymatgen
data_NdInAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05833079
_cell_length_b 5.05833079
_cell_length_c 5.05833079
_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_NdInAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.15356001
_cell_length_b 7.15356001
_cell_length_c 7.15356001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,069 | 24,911 | mp-752947 | -1.590478 | 0 | NaTiS2 | 0.007082 | ['Na', 'Ti', 'S'] | # generated using pymatgen
data_NaTiS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55469956
_cell_length_b 3.55469956
_cell_length_c 6.79737300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999190
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_NaTiS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55469956
_cell_length_b 3.55469956
_cell_length_c 6.79737300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,070 | 41,225 | mp-1221840 | -2.284719 | 1.5088 | Mn2NbFeO6 | 0.059449 | ['Fe', 'Mn', 'Nb', 'O'] | # generated using pymatgen
data_Mn2NbFeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61691250
_cell_length_b 5.61691250
_cell_length_c 5.61691250
_cell_angle_alpha 56.82461765
_cell_angle_beta 56.82461765
_cell_angle_gamma 56.82461867
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 146 | 146 | # generated using pymatgen
data_Mn2NbFeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34520196
_cell_length_b 5.34520196
_cell_length_c 14.07955265
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,071 | 12,992 | mp-989545 | -1.877556 | 3.1339 | Rb2NaSbCl6 | 0 | ['Rb', 'Na', 'Sb', 'Cl'] | # generated using pymatgen
data_Rb2NaSbCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.67071416
_cell_length_b 7.67071416
_cell_length_c 7.67071416
_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_Rb2NaSbCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.84802800
_cell_length_b 10.84802800
_cell_length_c 10.84802800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
26,072 | 21,605 | mp-1184602 | -0.306108 | 0 | Hf2MnCo | 0.00174 | ['Co', 'Hf', 'Mn'] | # generated using pymatgen
data_Hf2MnCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45340801
_cell_length_b 4.45340801
_cell_length_c 4.45340801
_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_Hf2MnCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.29807001
_cell_length_b 6.29807001
_cell_length_c 6.29807001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,073 | 27,172 | mp-1217861 | -0.032983 | 0 | Tb(Fe5Re)2 | 0.012193 | ['Fe', 'Re', 'Tb'] | # generated using pymatgen
data_Tb(Fe5Re)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69327100
_cell_length_b 6.48583575
_cell_length_c 6.48583575
_cell_angle_alpha 96.51264822
_cell_angle_beta 111.21134640
_cell_angle_gamma 68.78865360
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 71 | 71 | # generated using pymatgen
data_Tb(Fe5Re)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69327100
_cell_length_b 8.46450399
_cell_length_c 8.63653000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,074 | 17,225 | mp-15220 | -1.141771 | 1.1639 | K2VCuSe4 | 0 | ['Cu', 'K', 'Se', 'V'] | # generated using pymatgen
data_K2VCuSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.73114308
_cell_length_b 12.26960011
_cell_length_c 7.34485206
_cell_angle_alpha 84.92437491
_cell_angle_beta 62.88030466
_cell_angle_gamma 32.19532042
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 70 | 70 | # generated using pymatgen
data_K2VCuSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64723800
_cell_length_b 13.56083000
_cell_length_c 23.88055800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,075 | 35,048 | mp-1101119 | -0.974716 | 0 | Ti(CrSe2)2 | 0.034297 | ['Cr', 'Se', 'Ti'] | # generated using pymatgen
data_Ti(CrSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63054100
_cell_length_b 6.39753181
_cell_length_c 6.98895806
_cell_angle_alpha 115.47407595
_cell_angle_beta 74.94572105
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 8 | 8 | # generated using pymatgen
data_Ti(CrSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.49819686
_cell_length_b 3.63054100
_cell_length_c 6.39753181
_cell_angle_alpha 90.00000000
_cell_angle_beta 116.44818514
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,076 | 19,793 | mp-29398 | -1.511676 | 2.2117 | Cs2HfI6 | 0 | ['Cs', 'Hf', 'I'] | # generated using pymatgen
data_Cs2HfI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.48849588
_cell_length_b 8.48849588
_cell_length_c 8.48849588
_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_Cs2HfI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.00454600
_cell_length_b 12.00454600
_cell_length_c 12.00454600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,077 | 3,019 | mp-10519 | -0.578457 | 0.0407 | Cu2SnS3 | 0 | ['Cu', 'Sn', 'S'] | # generated using pymatgen
data_Cu2SnS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.69386699
_cell_length_b 6.69386699
_cell_length_c 6.72320847
_cell_angle_alpha 80.30268760
_cell_angle_beta 80.30268760
_cell_angle_gamma 120.00380509
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 9 | 9 | # generated using pymatgen
data_Cu2SnS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.69348200
_cell_length_b 11.59433999
_cell_length_c 6.72320847
_cell_angle_alpha 90.00000000
_cell_angle_beta 109.68846200
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,078 | 20,318 | mp-540 | -0.273875 | 0 | ScFe2 | 0 | ['Sc', 'Fe'] | # generated using pymatgen
data_ScFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92724309
_cell_length_b 4.92724309
_cell_length_c 4.92724309
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | 227 | 227 | # generated using pymatgen
data_ScFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.96817400
_cell_length_b 6.96817400
_cell_length_c 6.96817400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... |
26,079 | 13,906 | mp-7977 | -2.893321 | 2.8983 | CsSmO2 | 0 | ['Cs', 'Sm', 'O'] | # generated using pymatgen
data_CsSmO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65310548
_cell_length_b 3.65310548
_cell_length_c 13.83596700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999061
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_CsSmO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65310548
_cell_length_b 3.65310548
_cell_length_c 13.83596700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,080 | 8,519 | mp-10382 | -1.244298 | 0 | KEuPSe4 | 0 | ['Eu', 'K', 'P', 'Se'] | # generated using pymatgen
data_KEuPSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.00099400
_cell_length_b 6.95595900
_cell_length_c 9.25682285
_cell_angle_alpha 72.97056178
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 11 | 11 | # generated using pymatgen
data_KEuPSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.95595900
_cell_length_b 7.00099400
_cell_length_c 9.25682285
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.02943822
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,081 | 43,252 | mp-1247238 | -1.622383 | 0.8624 | YMgCrS4 | 0.068582 | ['Cr', 'Mg', 'S', 'Y'] | # generated using pymatgen
data_YMgCrS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.65161579
_cell_length_b 7.56686582
_cell_length_c 7.56734891
_cell_angle_alpha 59.43653531
_cell_angle_beta 59.62878416
_cell_angle_gamma 59.62899379
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 74 | 74 | # generated using pymatgen
data_YMgCrS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.50256887
_cell_length_b 7.65161579
_cell_length_c 10.68668541
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,082 | 7,670 | mp-1212837 | -0.780392 | 0 | Eu2Zn2CuP3 | 0 | ['Cu', 'Eu', 'P', 'Zn'] | # generated using pymatgen
data_Eu2Zn2CuP3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09391441
_cell_length_b 4.09391441
_cell_length_c 21.92578800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000665
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 194 | 194 | # generated using pymatgen
data_Eu2Zn2CuP3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09391441
_cell_length_b 4.09391441
_cell_length_c 21.92578800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,083 | 13,664 | mp-1213202 | -3.378364 | 0 | Er5(ReO6)2 | 0 | ['Er', 'O', 'Re'] | # generated using pymatgen
data_Er5(ReO6)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.78888251
_cell_length_b 6.78888251
_cell_length_c 7.49284380
_cell_angle_alpha 73.76833324
_cell_angle_beta 73.76833324
_cell_angle_gamma 49.13805151
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 12 | 12 | # generated using pymatgen
data_Er5(ReO6)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.34844801
_cell_length_b 5.64548800
_cell_length_c 7.49284380
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.89953291
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,084 | 14,769 | mp-21371 | -0.575883 | 0 | VCoSi | 0 | ['V', 'Co', 'Si'] | # generated using pymatgen
data_VCoSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55223600
_cell_length_b 5.96122400
_cell_length_c 6.83050400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | 62 | 62 | # generated using pymatgen
data_VCoSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55223600
_cell_length_b 5.96122400
_cell_length_c 6.83050400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... |
26,085 | 33,962 | mp-850876 | -2.683936 | 2.9193 | VOF3 | 0.030141 | ['F', 'O', 'V'] | # generated using pymatgen
data_VOF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42050400
_cell_length_b 5.59223300
_cell_length_c 9.56209300
_cell_angle_alpha 89.33748494
_cell_angle_beta 89.91712503
_cell_angle_gamma 86.58488211
_symmetry_Int_Tables_number 1
_chemical_formula_structural VO... | 1 | 1 | # generated using pymatgen
data_VOF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42050400
_cell_length_b 5.59223300
_cell_length_c 9.56209300
_cell_angle_alpha 89.33748494
_cell_angle_beta 89.91712503
_cell_angle_gamma 86.58488211
_symmetry_Int_Tables_number 1
_chemical_formula_structural VO... |
26,086 | 9,828 | mp-30745 | -0.360136 | 0 | Ir3W | 0 | ['Ir', 'W'] | # generated using pymatgen
data_Ir3W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55253443
_cell_length_b 5.55253443
_cell_length_c 4.43467900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000517
_symmetry_Int_Tables_number 1
_chemical_formula_structural I... | 194 | 194 | # generated using pymatgen
data_Ir3W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55253443
_cell_length_b 5.55253443
_cell_length_c 4.43467900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural I... |
26,087 | 44,348 | mp-5770 | -0.49382 | 1.77 | AgNO2 | 0.075427 | ['Ag', 'N', 'O'] | # generated using pymatgen
data_AgNO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51349884
_cell_length_b 4.51349884
_cell_length_c 4.51349884
_cell_angle_alpha 128.68850588
_cell_angle_beta 111.08632572
_cell_angle_gamma 90.86747867
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 44 | 44 | # generated using pymatgen
data_AgNO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90835600
_cell_length_b 5.10734199
_cell_length_c 6.33454799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... |
26,088 | 19,534 | mp-1078186 | -2.214509 | 3.7635 | KZn2BCl2O3 | 0 | ['B', 'Cl', 'K', 'O', 'Zn'] | # generated using pymatgen
data_KZn2BCl2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.51385702
_cell_length_b 9.51385702
_cell_length_c 9.51385673
_cell_angle_alpha 30.49695646
_cell_angle_beta 30.49695646
_cell_angle_gamma 30.49696175
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 155 | 155 | # generated using pymatgen
data_KZn2BCl2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00439554
_cell_length_b 5.00439554
_cell_length_c 27.19355333
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,089 | 44,803 | mp-1517564 | -3.581682 | 2.1986 | BaCaCeZrO6 | 0.077644 | ['Ba', 'Ca', 'Ce', 'O', 'Zr'] | # generated using pymatgen
data_BaCaCeZrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.97360279
_cell_length_b 6.04685982
_cell_length_c 8.54402929
_cell_angle_alpha 90.27072354
_cell_angle_beta 90.24683875
_cell_angle_gamma 89.99958210
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 2 | 2 | # generated using pymatgen
data_BaCaCeZrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.97360279
_cell_length_b 6.04685982
_cell_length_c 8.54402929
_cell_angle_alpha 90.27072354
_cell_angle_beta 90.24683875
_cell_angle_gamma 89.99958210
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,090 | 21,317 | mp-2783 | -0.532799 | 0 | Ta2Si | 0.001613 | ['Ta', 'Si'] | # generated using pymatgen
data_Ta2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06435052
_cell_length_b 5.06435052
_cell_length_c 5.06435052
_cell_angle_alpha 104.61667963
_cell_angle_beta 104.61667963
_cell_angle_gamma 119.68939456
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 140 | 140 | # generated using pymatgen
data_Ta2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.19280800
_cell_length_b 6.19280800
_cell_length_c 5.08810800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... |
26,091 | 40,624 | mp-1184255 | 0.012527 | 0 | ErMg5 | 0.057981 | ['Er', 'Mg'] | # generated using pymatgen
data_ErMg5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44341962
_cell_length_b 6.44341962
_cell_length_c 7.53616127
_cell_angle_alpha 75.28323498
_cell_angle_beta 75.28323498
_cell_angle_gamma 29.25506950
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | 8 | 8 | # generated using pymatgen
data_ErMg5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.46914999
_cell_length_b 3.25437000
_cell_length_c 7.53616127
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.22147024
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,092 | 43,987 | mp-989195 | -3.278722 | 3.9387 | ScClO | 0.072166 | ['Cl', 'O', 'Sc'] | # generated using pymatgen
data_ScClO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.57137000
_cell_length_b 3.57137000
_cell_length_c 7.95613000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | 129 | 129 | # generated using pymatgen
data_ScClO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.57137000
_cell_length_b 3.57137000
_cell_length_c 7.95613000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... |
26,093 | 13,751 | mp-21048 | -0.538661 | 0 | CrP | 0 | ['Cr', 'P'] | # generated using pymatgen
data_CrP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.06317900
_cell_length_b 5.33456400
_cell_length_c 5.94818900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrP... | 62 | 62 | # generated using pymatgen
data_CrP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.06317900
_cell_length_b 5.33456400
_cell_length_c 5.94818900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrP... |
26,094 | 16,048 | mp-1095501 | -1.209718 | 0 | TmSiPt | 0 | ['Pt', 'Si', 'Tm'] | # generated using pymatgen
data_TmSiPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27097400
_cell_length_b 6.92226700
_cell_length_c 7.42988200
_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_TmSiPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27097400
_cell_length_b 6.92226700
_cell_length_c 7.42988200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,095 | 41,595 | mp-1114510 | -1.143925 | 2.1806 | KRb2AsI6 | 0.063027 | ['As', 'I', 'K', 'Rb'] | # generated using pymatgen
data_KRb2AsI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.81814058
_cell_length_b 8.81814058
_cell_length_c 8.81814058
_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_KRb2AsI6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.47073400
_cell_length_b 12.47073400
_cell_length_c 12.47073400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,096 | 14,998 | mp-999474 | -1.93475 | 1.9119 | NaHoSe2 | 0 | ['Na', 'Ho', 'Se'] | # generated using pymatgen
data_NaHoSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.37905228
_cell_length_b 7.37905228
_cell_length_c 7.37905303
_cell_angle_alpha 32.50011162
_cell_angle_beta 32.50011162
_cell_angle_gamma 32.50011448
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_NaHoSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12975993
_cell_length_b 4.12975993
_cell_length_c 20.94967769
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,097 | 4,696 | mp-1224171 | -0.534877 | 1.3079 | Hg11I2BrClO4 | 0 | ['Br', 'Cl', 'Hg', 'I', 'O'] | # generated using pymatgen
data_Hg11I2BrClO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.66227500
_cell_length_b 7.21835719
_cell_length_c 10.79396105
_cell_angle_alpha 99.86359056
_cell_angle_beta 93.21435364
_cell_angle_gamma 92.46442787
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 1 | 1 | # generated using pymatgen
data_Hg11I2BrClO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.66227500
_cell_length_b 7.21835719
_cell_length_c 10.79396105
_cell_angle_alpha 99.86359056
_cell_angle_beta 93.21435364
_cell_angle_gamma 92.46442787
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
26,098 | 32,902 | mp-6829 | -2.498748 | 0 | Ba3Y2Cu2PtO10 | 0.025989 | ['Ba', 'Cu', 'O', 'Pt', 'Y'] | # generated using pymatgen
data_Ba3Y2Cu2PtO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.95376387
_cell_length_b 6.95376387
_cell_length_c 7.53128702
_cell_angle_alpha 75.95408310
_cell_angle_beta 75.95408310
_cell_angle_gamma 49.99291618
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 12 | 12 | # generated using pymatgen
data_Ba3Y2Cu2PtO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.60486400
_cell_length_b 5.87679600
_cell_length_c 7.53128702
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.53229308
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_stru... |
26,099 | 21,566 | mp-1105697 | -1.80764 | 3.3647 | PbCO3 | 0.001963 | ['C', 'O', 'Pb'] | # generated using pymatgen
data_PbCO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.56543100
_cell_length_b 5.26015600
_cell_length_c 6.28133139
_cell_angle_alpha 89.91828870
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | 14 | 14 | # generated using pymatgen
data_PbCO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26015600
_cell_length_b 8.56543100
_cell_length_c 6.28133139
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.08171130
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... |
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