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 |
|---|---|---|---|---|---|---|---|---|---|---|---|
300 | 19,463 | mp-867201 | -0.388914 | 0 | CaInHg2 | 0 | ['Ca', 'Hg', 'In'] | # generated using pymatgen
data_CaInHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24936700
_cell_length_b 5.24936700
_cell_length_c 5.24936700
_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_CaInHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.42372601
_cell_length_b 7.42372601
_cell_length_c 7.42372601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
301 | 7,411 | mp-7035 | -2.890738 | 3.9401 | CaMgAsO4F | 0 | ['As', 'Ca', 'F', 'Mg', 'O'] | # generated using pymatgen
data_CaMgAsO4F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.66529300
_cell_length_b 5.66529300
_cell_length_c 7.20614326
_cell_angle_alpha 76.10575680
_cell_angle_beta 76.10575680
_cell_angle_gamma 106.15042903
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 15 | 15 | # generated using pymatgen
data_CaMgAsO4F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.80703200
_cell_length_b 9.05795200
_cell_length_c 7.20614326
_cell_angle_alpha 90.00000000
_cell_angle_beta 113.55987244
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
302 | 1,074 | mp-1104447 | -1.542639 | 0 | KGdGeS4 | 0 | ['Gd', 'Ge', 'K', 'S'] | # generated using pymatgen
data_KGdGeS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.73531300
_cell_length_b 6.57123400
_cell_length_c 8.71935641
_cell_angle_alpha 73.01470478
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 4 | 4 | # generated using pymatgen
data_KGdGeS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.57123400
_cell_length_b 6.73531300
_cell_length_c 8.71935641
_cell_angle_alpha 90.00000000
_cell_angle_beta 106.98529522
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
303 | 38,857 | mp-562182 | -2.644601 | 3.4383 | ZnSiO3 | 0.04854 | ['O', 'Si', 'Zn'] | # generated using pymatgen
data_ZnSiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.88675400
_cell_length_b 6.88675400
_cell_length_c 5.37290662
_cell_angle_alpha 73.72493080
_cell_angle_beta 73.72493080
_cell_angle_gamma 86.56440031
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_ZnSiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.02691800
_cell_length_b 9.44301000
_cell_length_c 5.37290662
_cell_angle_alpha 90.00000000
_cell_angle_beta 112.64156749
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
304 | 31,757 | mp-1227008 | -0.559444 | 0.303 | Cd2GaCuTe4 | 0.022939 | ['Cd', 'Cu', 'Ga', 'Te'] | # generated using pymatgen
data_Cd2GaCuTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.77773821
_cell_length_b 7.77773821
_cell_length_c 7.77773821
_cell_angle_alpha 131.90417031
_cell_angle_beta 131.90417031
_cell_angle_gamma 70.38042163
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 121 | 121 | # generated using pymatgen
data_Cd2GaCuTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.33886400
_cell_length_b 6.33886400
_cell_length_c 12.71261000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
305 | 11,547 | mp-1095380 | -0.796814 | 0 | LiEuBi | 0 | ['Bi', 'Eu', 'Li'] | # generated using pymatgen
data_LiEuBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92507300
_cell_length_b 8.07388200
_cell_length_c 8.62039000
_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_LiEuBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92507300
_cell_length_b 8.07388200
_cell_length_c 8.62039000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
306 | 17,426 | mp-8406 | -0.993984 | 0.045 | Li3NdAs2 | 0 | ['As', 'Li', 'Nd'] | # generated using pymatgen
data_Li3NdAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31280862
_cell_length_b 4.31280862
_cell_length_c 6.95297300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000944
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 164 | 164 | # generated using pymatgen
data_Li3NdAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31280862
_cell_length_b 4.31280862
_cell_length_c 6.95297300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
307 | 34,231 | mp-1221389 | -0.1251 | 0 | Mn5Ni8Sn3 | 0.030873 | ['Mn', 'Ni', 'Sn'] | # generated using pymatgen
data_Mn5Ni8Sn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.00310830
_cell_length_b 14.00310830
_cell_length_c 14.00310830
_cell_angle_alpha 17.33734392
_cell_angle_beta 17.33734392
_cell_angle_gamma 17.33734520
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 166 | 166 | # generated using pymatgen
data_Mn5Ni8Sn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22110569
_cell_length_b 4.22110569
_cell_length_c 41.36822665
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
308 | 40,443 | mp-765618 | -2.235412 | 0.213 | Mn6O7F5 | 0.054791 | ['F', 'Mn', 'O'] | # generated using pymatgen
data_Mn6O7F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53594000
_cell_length_b 5.58062421
_cell_length_c 7.36255199
_cell_angle_alpha 73.48854989
_cell_angle_beta 72.06133125
_cell_angle_gamma 71.59998549
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 1 | 1 | # generated using pymatgen
data_Mn6O7F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53594000
_cell_length_b 5.58062421
_cell_length_c 7.36255199
_cell_angle_alpha 73.48854989
_cell_angle_beta 72.06133125
_cell_angle_gamma 71.59998549
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
309 | 6,259 | mp-20790 | -0.695512 | 2.4231 | InPS4 | 0 | ['In', 'P', 'S'] | # generated using pymatgen
data_InPS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.17524968
_cell_length_b 6.17524968
_cell_length_c 6.17524968
_cell_angle_alpha 124.27386462
_cell_angle_beta 124.27386462
_cell_angle_gamma 82.74426091
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 82 | 82 | # generated using pymatgen
data_InPS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.77213000
_cell_length_b 5.77213000
_cell_length_c 9.26821800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural I... |
310 | 37,154 | mp-1205315 | -1.799174 | 0.7824 | LiBiO2 | 0.042891 | ['Bi', 'Li', 'O'] | # generated using pymatgen
data_LiBiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.49240700
_cell_length_b 3.49240700
_cell_length_c 9.51462200
_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_LiBiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.49240700
_cell_length_b 3.49240700
_cell_length_c 9.51462200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
311 | 25,231 | mp-1222555 | -0.321871 | 0 | LuFe2Co2B | 0.008265 | ['B', 'Co', 'Fe', 'Lu'] | # generated using pymatgen
data_LuFe2Co2B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01463109
_cell_length_b 5.01463109
_cell_length_c 6.84280100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.20617121
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 35 | 35 | # generated using pymatgen
data_LuFe2Co2B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99899600
_cell_length_b 8.69460401
_cell_length_c 6.84280100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
312 | 10,793 | mp-30147 | -0.983534 | 0 | ZrTiAs | 0 | ['Zr', 'Ti', 'As'] | # generated using pymatgen
data_ZrTiAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.94176161
_cell_length_b 7.94176161
_cell_length_c 7.94176161
_cell_angle_alpha 152.38779941
_cell_angle_beta 152.38779941
_cell_angle_gamma 39.44725537
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_ZrTiAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.79039400
_cell_length_b 3.79039400
_cell_length_c 14.95165999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
313 | 18,297 | mp-2462 | -0.148228 | 0 | PrCu5 | 0 | ['Pr', 'Cu'] | # generated using pymatgen
data_PrCu5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13511521
_cell_length_b 5.13511521
_cell_length_c 4.10263600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998988
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 191 | 191 | # generated using pymatgen
data_PrCu5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13511521
_cell_length_b 5.13511521
_cell_length_c 4.10263600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
314 | 1,559 | mp-1102578 | -0.553303 | 0 | Nd3(AgSn)4 | 0 | ['Ag', 'Nd', 'Sn'] | # generated using pymatgen
data_Nd3(AgSn)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.96660433
_cell_length_b 8.96660433
_cell_length_c 8.96660433
_cell_angle_alpha 149.58608954
_cell_angle_beta 131.17593148
_cell_angle_gamma 58.61647897
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 71 | 71 | # generated using pymatgen
data_Nd3(AgSn)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70399400
_cell_length_b 7.41171800
_cell_length_c 15.63773800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
315 | 28,167 | mp-1215230 | -0.215438 | 0 | ZrTiMn4 | 0.014349 | ['Mn', 'Ti', 'Zr'] | # generated using pymatgen
data_ZrTiMn4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84230822
_cell_length_b 4.84230822
_cell_length_c 8.04265100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000307
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_ZrTiMn4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84230822
_cell_length_b 4.84230822
_cell_length_c 8.04265100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
316 | 40,803 | mp-1519250 | -2.875166 | 1.7541 | SrCaNbFeO6 | 0.057956 | ['Ca', 'Fe', 'Nb', 'O', 'Sr'] | # generated using pymatgen
data_SrCaNbFeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65998802
_cell_length_b 5.65998802
_cell_length_c 5.65998802
_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_SrCaNbFeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.00443182
_cell_length_b 8.00443182
_cell_length_c 8.00443182
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
317 | 367 | mp-1222697 | -2.348126 | 0 | LaSmS2 | 0 | ['La', 'S', 'Sm'] | # generated using pymatgen
data_LaSmS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.12882726
_cell_length_b 7.12882726
_cell_length_c 7.12882693
_cell_angle_alpha 33.11443720
_cell_angle_beta 33.11443720
_cell_angle_gamma 33.11443092
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_LaSmS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06304233
_cell_length_b 4.06304233
_cell_length_c 20.19546106
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
318 | 27,874 | mp-558830 | -1.765173 | 3.1571 | ZnTeMoO6 | 0.013105 | ['Mo', 'O', 'Te', 'Zn'] | # generated using pymatgen
data_ZnTeMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10137900
_cell_length_b 5.35242200
_cell_length_c 9.20584400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 18 | 18 | # generated using pymatgen
data_ZnTeMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10137900
_cell_length_b 5.35242200
_cell_length_c 9.20584400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
319 | 5,653 | mp-1206423 | -0.48896 | 0 | NdIn | 0 | ['In', 'Nd'] | # generated using pymatgen
data_NdIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.88204800
_cell_length_b 3.88204800
_cell_length_c 3.88204800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nd... | 221 | 221 | # generated using pymatgen
data_NdIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.88204800
_cell_length_b 3.88204800
_cell_length_c 3.88204800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nd... |
320 | 36,141 | mp-1188529 | -1.937204 | 0 | Mn7BiO12 | 0.038074 | ['Bi', 'Mn', 'O'] | # generated using pymatgen
data_Mn7BiO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.55757006
_cell_length_b 6.55757006
_cell_length_c 7.62523871
_cell_angle_alpha 54.85423167
_cell_angle_beta 54.85423167
_cell_angle_gamma 69.99874848
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 8 | 8 | # generated using pymatgen
data_Mn7BiO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.74337600
_cell_length_b 7.52241800
_cell_length_c 7.62523871
_cell_angle_alpha 90.00000000
_cell_angle_beta 134.64757482
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
321 | 6,471 | mp-903 | -0.032288 | 0 | ZrCr2 | 0 | ['Zr', 'Cr'] | # generated using pymatgen
data_ZrCr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05240665
_cell_length_b 5.05240665
_cell_length_c 5.05240665
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | 227 | 227 | # generated using pymatgen
data_ZrCr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.14518201
_cell_length_b 7.14518201
_cell_length_c 7.14518201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... |
322 | 28,060 | mp-1112480 | -1.507349 | 1.5315 | K2AgAsCl6 | 0.013737 | ['Ag', 'As', 'Cl', 'K'] | # generated using pymatgen
data_K2AgAsCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.35260803
_cell_length_b 7.35260803
_cell_length_c 7.35260803
_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_K2AgAsCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.39815799
_cell_length_b 10.39815799
_cell_length_c 10.39815799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
323 | 40,050 | mp-1101915 | -1.528014 | 0.0562 | Li2Cu2TeO6 | 0.055622 | ['Cu', 'Li', 'O', 'Te'] | # generated using pymatgen
data_Li2Cu2TeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21889795
_cell_length_b 5.21889795
_cell_length_c 5.45524065
_cell_angle_alpha 104.29642476
_cell_angle_beta 104.29642476
_cell_angle_gamma 112.43785564
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 12 | 12 | # generated using pymatgen
data_Li2Cu2TeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80363441
_cell_length_b 8.67556401
_cell_length_c 5.45524065
_cell_angle_alpha 90.00000000
_cell_angle_beta 116.36687435
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
324 | 13,687 | mp-1223506 | -2.122191 | 0 | KBa2Bi2O7 | 0 | ['Ba', 'Bi', 'K', 'O'] | # generated using pymatgen
data_KBa2Bi2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.57884223
_cell_length_b 11.57884223
_cell_length_c 11.57884223
_cell_angle_alpha 158.23587119
_cell_angle_beta 158.23587119
_cell_angle_gamma 30.97006256
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | 107 | 107 | # generated using pymatgen
data_KBa2Bi2O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.37189400
_cell_length_b 4.37189400
_cell_length_c 22.31706601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
325 | 34,393 | mp-675458 | -1.472494 | 1.3934 | La2Te4Pb | 0.030447 | ['La', 'Pb', 'Te'] | # generated using pymatgen
data_La2Te4Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.45073080
_cell_length_b 8.45073080
_cell_length_c 8.45073080
_cell_angle_alpha 109.55082906
_cell_angle_beta 109.55082906
_cell_angle_gamma 109.31212083
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 122 | 122 | # generated using pymatgen
data_La2Te4Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.74847400
_cell_length_b 9.74847400
_cell_length_c 9.77721400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
326 | 8,674 | mp-1212891 | -0.602777 | 0 | Eu3Sn5 | 0 | ['Eu', 'Sn'] | # generated using pymatgen
data_Eu3Sn5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.69872882
_cell_length_b 6.69872882
_cell_length_c 10.70741000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 101.02399652
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_Eu3Sn5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.51966599
_cell_length_b 10.33959199
_cell_length_c 10.70741000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
327 | 16,281 | mp-27478 | -3.648434 | 4.2205 | Na3PaF8 | 0 | ['Na', 'Pa', 'F'] | # generated using pymatgen
data_Na3PaF8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.75608777
_cell_length_b 6.75608777
_cell_length_c 6.75608777
_cell_angle_alpha 131.70435452
_cell_angle_beta 131.70435452
_cell_angle_gamma 70.69636948
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 139 | 139 | # generated using pymatgen
data_Na3PaF8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52772600
_cell_length_b 5.52772600
_cell_length_c 11.02122400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
328 | 14,468 | mp-9210 | -1.980157 | 0 | La(PdO2)2 | 0 | ['La', 'O', 'Pd'] | # generated using pymatgen
data_La(PdO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.70778113
_cell_length_b 6.70778113
_cell_length_c 6.70778113
_cell_angle_alpha 126.88190948
_cell_angle_beta 126.88190948
_cell_angle_gamma 78.44342658
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 88 | 88 | # generated using pymatgen
data_La(PdO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99836400
_cell_length_b 5.99836400
_cell_length_c 10.39310201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
329 | 36,188 | mp-1217801 | -2.655212 | 0.9508 | SrTiNb2Bi2PbO12 | 0.038519 | ['Bi', 'Nb', 'O', 'Pb', 'Sr', 'Ti'] | # generated using pymatgen
data_SrTiNb2Bi2PbO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94930592
_cell_length_b 3.94930592
_cell_length_c 16.75051455
_cell_angle_alpha 83.22988050
_cell_angle_beta 83.22988050
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_str... | 107 | 107 | # generated using pymatgen
data_SrTiNb2Bi2PbO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94930592
_cell_length_b 3.94930592
_cell_length_c 33.03218001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_str... |
330 | 23,801 | mp-18966 | -1.215748 | 1.1887 | FeAgO2 | 0.00596 | ['Fe', 'Ag', 'O'] | # generated using pymatgen
data_FeAgO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.08263700
_cell_length_b 3.08263729
_cell_length_c 12.59072500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000761
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_FeAgO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.08263715
_cell_length_b 3.08263715
_cell_length_c 12.59072500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
331 | 12,717 | mp-15323 | -0.380868 | 0 | Nd(BOs)4 | 0 | ['B', 'Nd', 'Os'] | # generated using pymatgen
data_Nd(BOs)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.62822800
_cell_length_b 7.62822800
_cell_length_c 4.00770800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 86 | 86 | # generated using pymatgen
data_Nd(BOs)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.62822800
_cell_length_b 7.62822800
_cell_length_c 4.00770800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
332 | 23,858 | mp-5575 | -3.688746 | 0.2698 | GdTaO4 | 0.005782 | ['Gd', 'O', 'Ta'] | # generated using pymatgen
data_GdTaO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.63576257
_cell_length_b 6.63576257
_cell_length_c 5.12911077
_cell_angle_alpha 69.71555714
_cell_angle_beta 69.71555714
_cell_angle_gamma 115.25049859
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_GdTaO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.10630000
_cell_length_b 11.20865201
_cell_length_c 5.12911077
_cell_angle_alpha 90.00000000
_cell_angle_beta 130.34973823
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
333 | 31,977 | mp-981312 | -0.118331 | 0 | ZrCu2Hg | 0.023892 | ['Zr', 'Cu', 'Hg'] | # generated using pymatgen
data_ZrCu2Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53363917
_cell_length_b 4.53363917
_cell_length_c 4.53363917
_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_ZrCu2Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41153400
_cell_length_b 6.41153400
_cell_length_c 6.41153400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
334 | 24,984 | mp-982380 | -0.034756 | 0 | Li2Mg | 0.007795 | ['Li', 'Mg'] | # generated using pymatgen
data_Li2Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.87889527
_cell_length_b 5.87889527
_cell_length_c 7.29031336
_cell_angle_alpha 74.41374051
_cell_angle_beta 74.41374051
_cell_angle_gamma 30.57613424
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | 8 | 8 | # generated using pymatgen
data_Li2Mg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.34171001
_cell_length_b 3.10020200
_cell_length_c 7.29031336
_cell_angle_alpha 90.00000000
_cell_angle_beta 106.17343949
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
335 | 11,742 | mp-20066 | -1.770124 | 6.6402 | CO2 | 0 | ['C', 'O'] | # generated using pymatgen
data_CO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80269900
_cell_length_b 5.80269900
_cell_length_c 5.80269900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CO2... | 205 | 205 | # generated using pymatgen
data_CO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80269900
_cell_length_b 5.80269900
_cell_length_c 5.80269900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CO2... |
336 | 15,702 | mp-1225340 | -1.244175 | 0 | Eu2CuTe4 | 0 | ['Cu', 'Eu', 'Te'] | # generated using pymatgen
data_Eu2CuTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.47014300
_cell_length_b 4.47014300
_cell_length_c 10.10238400
_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_Eu2CuTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.47014300
_cell_length_b 4.47014300
_cell_length_c 10.10238400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
337 | 20,042 | mp-1103936 | -0.136715 | 0 | Er(MnSn)6 | 0 | ['Er', 'Mn', 'Sn'] | # generated using pymatgen
data_Er(MnSn)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45388032
_cell_length_b 5.45388032
_cell_length_c 9.00283000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000390
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 191 | 191 | # generated using pymatgen
data_Er(MnSn)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45388032
_cell_length_b 5.45388032
_cell_length_c 9.00283000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
338 | 38,794 | mp-1523171 | -2.801596 | 0.0907 | NaEuZrSbO6 | 0.048432 | ['Eu', 'Na', 'O', 'Sb', 'Zr'] | # generated using pymatgen
data_NaEuZrSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76711170
_cell_length_b 5.76711170
_cell_length_c 5.76711170
_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_NaEuZrSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.15592758
_cell_length_b 8.15592758
_cell_length_c 8.15592758
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
339 | 2,204 | mp-1220689 | -0.18793 | 0 | Nb(ZnGa)3 | 0 | ['Ga', 'Nb', 'Zn'] | # generated using pymatgen
data_Nb(ZnGa)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64328465
_cell_length_b 5.64328465
_cell_length_c 5.64328504
_cell_angle_alpha 58.08257780
_cell_angle_beta 58.08257780
_cell_angle_gamma 58.08258247
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 166 | 166 | # generated using pymatgen
data_Nb(ZnGa)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47894989
_cell_length_b 5.47894989
_cell_length_c 14.02010319
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
340 | 28,065 | mp-1114295 | -1.340545 | 0 | Cs2TlCuBr6 | 0.014264 | ['Br', 'Cs', 'Cu', 'Tl'] | # generated using pymatgen
data_Cs2TlCuBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.83123164
_cell_length_b 7.83123164
_cell_length_c 7.83123164
_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_Cs2TlCuBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.07503400
_cell_length_b 11.07503400
_cell_length_c 11.07503400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
341 | 27,170 | mp-1217593 | -0.394399 | 0 | TbAl7Fe5 | 0.012243 | ['Al', 'Fe', 'Tb'] | # generated using pymatgen
data_TbAl7Fe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.61740409
_cell_length_b 6.61740409
_cell_length_c 6.61740409
_cell_angle_alpha 135.43856724
_cell_angle_beta 98.51819529
_cell_angle_gamma 98.01185512
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 44 | 44 | # generated using pymatgen
data_TbAl7Fe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01790800
_cell_length_b 8.63755800
_cell_length_c 8.68178200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
342 | 13,806 | mp-4002 | -3.681094 | 6.481 | Li2ZrF6 | 0 | ['Li', 'Zr', 'F'] | # generated using pymatgen
data_Li2ZrF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06984873
_cell_length_b 5.06984873
_cell_length_c 4.72457100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000948
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 162 | 162 | # generated using pymatgen
data_Li2ZrF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06984873
_cell_length_b 5.06984873
_cell_length_c 4.72457100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
343 | 42,699 | mp-1219212 | -0.107823 | 0 | Sm2Al4Fe13 | 0.066834 | ['Al', 'Fe', 'Sm'] | # generated using pymatgen
data_Sm2Al4Fe13
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.49796801
_cell_length_b 6.49796801
_cell_length_c 6.49796878
_cell_angle_alpha 82.27958226
_cell_angle_beta 82.27958226
_cell_angle_gamma 82.27958396
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 160 | 160 | # generated using pymatgen
data_Sm2Al4Fe13
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.55000619
_cell_length_b 8.55000619
_cell_length_c 12.67692802
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
344 | 13,005 | mp-1018764 | -0.872063 | 0 | Li3HoSb2 | 0 | ['Li', 'Ho', 'Sb'] | # generated using pymatgen
data_Li3HoSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54263808
_cell_length_b 4.54263808
_cell_length_c 7.14971900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000116
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 164 | 164 | # generated using pymatgen
data_Li3HoSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54263808
_cell_length_b 4.54263808
_cell_length_c 7.14971900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
345 | 19,295 | mp-25279 | -2.289022 | 2.3444 | V2O5 | 0 | ['O', 'V'] | # generated using pymatgen
data_V2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.61865800
_cell_length_b 4.79729300
_cell_length_c 11.55150800
_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 3.61865800
_cell_length_b 4.79729300
_cell_length_c 11.55150800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... |
346 | 26,154 | mp-1216123 | -0.409071 | 0 | Y2Al3Fe | 0.010544 | ['Al', 'Fe', 'Y'] | # generated using pymatgen
data_Y2Al3Fe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41470366
_cell_length_b 5.41470366
_cell_length_c 5.41470376
_cell_angle_alpha 61.01157127
_cell_angle_beta 61.01157127
_cell_angle_gamma 61.01157299
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_Y2Al3Fe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.49728195
_cell_length_b 5.49728195
_cell_length_c 13.16095812
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
347 | 22,339 | mp-29644 | -0.453712 | 0.7193 | GeBi4Te7 | 0.002916 | ['Bi', 'Ge', 'Te'] | # generated using pymatgen
data_GeBi4Te7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41269391
_cell_length_b 4.41269391
_cell_length_c 24.67139900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999866
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 164 | 164 | # generated using pymatgen
data_GeBi4Te7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41269391
_cell_length_b 4.41269391
_cell_length_c 24.67139900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
348 | 20,966 | mp-971739 | -0.36001 | 0 | ZnCuPt2 | 0.000975 | ['Zn', 'Cu', 'Pt'] | # generated using pymatgen
data_ZnCuPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31009585
_cell_length_b 4.31009585
_cell_length_c 4.31009585
_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_ZnCuPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.09539601
_cell_length_b 6.09539601
_cell_length_c 6.09539601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
349 | 14,670 | mp-1216573 | -0.538522 | 0 | TmAlNi4 | 0 | ['Al', 'Ni', 'Tm'] | # generated using pymatgen
data_TmAlNi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85812983
_cell_length_b 4.85812983
_cell_length_c 4.01993500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 118.45559189
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 65 | 65 | # generated using pymatgen
data_TmAlNi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97109201
_cell_length_b 8.34829001
_cell_length_c 4.01993500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
350 | 30,191 | mp-1218520 | -3.439982 | 3.913 | SrAl2O4 | 0.019272 | ['Al', 'O', 'Sr'] | # generated using pymatgen
data_SrAl2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21055069
_cell_length_b 5.21055069
_cell_length_c 8.67047411
_cell_angle_alpha 86.63988765
_cell_angle_beta 86.63988765
_cell_angle_gamma 59.78095815
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 5 | 5 | # generated using pymatgen
data_SrAl2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.03488201
_cell_length_b 5.19329000
_cell_length_c 8.67047411
_cell_angle_alpha 90.00000000
_cell_angle_beta 93.87638882
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
351 | 11,509 | mp-10246 | -1.061308 | 1.3934 | Na2PtS2 | 0 | ['Na', 'Pt', 'S'] | # generated using pymatgen
data_Na2PtS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55127276
_cell_length_b 5.55127276
_cell_length_c 10.96056000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 142.23226704
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 36 | 36 | # generated using pymatgen
data_Na2PtS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.59335000
_cell_length_b 10.50496801
_cell_length_c 10.96056000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
352 | 24,280 | mp-1227786 | -3.204367 | 3.0697 | Ca2TiSi2SnO10 | 0.006398 | ['Ca', 'O', 'Si', 'Sn', 'Ti'] | # generated using pymatgen
data_Ca2TiSi2SnO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.56410500
_cell_length_b 5.56996511
_cell_length_c 7.22282097
_cell_angle_alpha 104.08396928
_cell_angle_beta 104.23013590
_cell_angle_gamma 105.66340598
_symmetry_Int_Tables_number 1
_chemical_formula_str... | 2 | 2 | # generated using pymatgen
data_Ca2TiSi2SnO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.56410500
_cell_length_b 5.56996511
_cell_length_c 7.22282097
_cell_angle_alpha 104.08396928
_cell_angle_beta 104.23013590
_cell_angle_gamma 105.66340598
_symmetry_Int_Tables_number 1
_chemical_formula_str... |
353 | 45,113 | mp-1251059 | -2.845081 | 3.1454 | MgSi2SnO6 | 0.078703 | ['Mg', 'O', 'Si', 'Sn'] | # generated using pymatgen
data_MgSi2SnO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.30171940
_cell_length_b 7.30171940
_cell_length_c 5.51207230
_cell_angle_alpha 75.52611199
_cell_angle_beta 75.52611199
_cell_angle_gamma 84.55887434
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 15 | 15 | # generated using pymatgen
data_MgSi2SnO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.80468400
_cell_length_b 9.82442000
_cell_length_c 5.51207230
_cell_angle_alpha 90.00000000
_cell_angle_beta 109.74370067
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
354 | 14,892 | mp-569818 | -0.799562 | 0 | Er3Si3Ni | 0 | ['Er', 'Ni', 'Si'] | # generated using pymatgen
data_Er3Si3Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.54018849
_cell_length_b 5.54018849
_cell_length_c 13.44288423
_cell_angle_alpha 71.02741333
_cell_angle_beta 71.02741333
_cell_angle_gamma 44.15557158
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 12 | 12 | # generated using pymatgen
data_Er3Si3Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.26790200
_cell_length_b 4.16472600
_cell_length_c 13.44288423
_cell_angle_alpha 90.00000000
_cell_angle_beta 110.53878605
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
355 | 14,627 | mp-1206599 | -0.436643 | 0 | Sm(AlGe)2 | 0 | ['Al', 'Ge', 'Sm'] | # generated using pymatgen
data_Sm(AlGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31960504
_cell_length_b 4.31960504
_cell_length_c 6.74174200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001594
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 164 | 164 | # generated using pymatgen
data_Sm(AlGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31960504
_cell_length_b 4.31960504
_cell_length_c 6.74174200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
356 | 24,321 | mp-19035 | -2.143414 | 0 | BaFeO3 | 0.00687 | ['Ba', 'Fe', 'O'] | # generated using pymatgen
data_BaFeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03304500
_cell_length_b 4.03304500
_cell_length_c 4.03304500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 221 | 221 | # generated using pymatgen
data_BaFeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03304500
_cell_length_b 4.03304500
_cell_length_c 4.03304500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
357 | 12,458 | mp-865927 | -3.607636 | 0 | AcTiO3 | 0 | ['Ac', 'Ti', 'O'] | # generated using pymatgen
data_AcTiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01481400
_cell_length_b 4.01481400
_cell_length_c 4.01481400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 221 | 221 | # generated using pymatgen
data_AcTiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01481400
_cell_length_b 4.01481400
_cell_length_c 4.01481400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
358 | 27,301 | mp-1783 | -0.723341 | 0 | MnS | 0.011914 | ['Mn', 'S'] | # generated using pymatgen
data_MnS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91235818
_cell_length_b 3.91235818
_cell_length_c 3.91235818
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnS... | 216 | 216 | # generated using pymatgen
data_MnS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53291000
_cell_length_b 5.53291000
_cell_length_c 5.53291000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnS... |
359 | 40,646 | mp-1190287 | -1.96186 | 3.5975 | LiCO2 | 0.056377 | ['C', 'Li', 'O'] | # generated using pymatgen
data_LiCO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.57190960
_cell_length_b 5.19987100
_cell_length_c 9.13234687
_cell_angle_alpha 90.00000000
_cell_angle_beta 94.63908924
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | 14 | 14 | # generated using pymatgen
data_LiCO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.57190960
_cell_length_b 5.19987100
_cell_length_c 9.53319299
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.28969529
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
360 | 33,752 | mp-1224152 | -0.074949 | 0 | Ho(VFe5)2 | 0.029949 | ['Fe', 'Ho', 'V'] | # generated using pymatgen
data_Ho(VFe5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69299000
_cell_length_b 6.43339388
_cell_length_c 6.43339388
_cell_angle_alpha 97.30523929
_cell_angle_beta 111.39138109
_cell_angle_gamma 68.60861891
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 71 | 71 | # generated using pymatgen
data_Ho(VFe5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69299000
_cell_length_b 8.44266001
_cell_length_c 8.50009201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
361 | 37,623 | mp-1184636 | -0.249507 | 0 | HfThTc2 | 0.045234 | ['Hf', 'Tc', 'Th'] | # generated using pymatgen
data_HfThTc2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81806297
_cell_length_b 4.81806297
_cell_length_c 4.81806297
_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_HfThTc2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.81377000
_cell_length_b 6.81377000
_cell_length_c 6.81377000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
362 | 40,702 | mp-1219936 | -0.721087 | 0 | Pd7O8 | 0.056272 | ['O', 'Pd'] | # generated using pymatgen
data_Pd7O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.75610200
_cell_length_b 5.75610200
_cell_length_c 5.75610200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | 200 | 200 | # generated using pymatgen
data_Pd7O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.75610200
_cell_length_b 5.75610200
_cell_length_c 5.75610200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... |
363 | 5,884 | mp-569548 | -1.221345 | 0.709 | CsAuBr3 | 0 | ['Cs', 'Au', 'Br'] | # generated using pymatgen
data_CsAuBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.11362074
_cell_length_b 8.11362074
_cell_length_c 8.11362074
_cell_angle_alpha 121.50385965
_cell_angle_beta 121.50385965
_cell_angle_gamma 87.41439525
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 139 | 139 | # generated using pymatgen
data_CsAuBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.92849800
_cell_length_b 7.92849800
_cell_length_c 11.73035400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
364 | 29,528 | mp-1079656 | -1.552238 | 1.044 | TmAgS2 | 0.017533 | ['Ag', 'S', 'Tm'] | # generated using pymatgen
data_TmAgS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.09818871
_cell_length_b 7.09818871
_cell_length_c 7.09818871
_cell_angle_alpha 135.45288969
_cell_angle_beta 135.45288969
_cell_angle_gamma 64.82732007
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 109 | 109 | # generated using pymatgen
data_TmAgS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38084000
_cell_length_b 5.38084000
_cell_length_c 11.98458400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
365 | 38,859 | mp-567597 | 0.049545 | 0 | Bi | 0.049545 | ['Bi'] | # generated using pymatgen
data_Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27789700
_cell_length_b 3.27789700
_cell_length_c 3.27789700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Bi
_... | 221 | 221 | # generated using pymatgen
data_Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27789700
_cell_length_b 3.27789700
_cell_length_c 3.27789700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Bi
_... |
366 | 16,145 | mp-1209398 | -2.733925 | 3.3815 | Rb3LuV2O8 | 0 | ['Lu', 'O', 'Rb', 'V'] | # generated using pymatgen
data_Rb3LuV2O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02337185
_cell_length_b 6.02337185
_cell_length_c 7.93865200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999840
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 164 | 164 | # generated using pymatgen
data_Rb3LuV2O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02337185
_cell_length_b 6.02337185
_cell_length_c 7.93865200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
367 | 32,270 | mp-1227045 | -0.553986 | 0 | CaH2Pd | 0.024347 | ['Ca', 'H', 'Pd'] | # generated using pymatgen
data_CaH2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72871200
_cell_length_b 3.72871200
_cell_length_c 3.55274700
_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_CaH2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72871200
_cell_length_b 3.72871200
_cell_length_c 3.55274700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
368 | 7,944 | mp-865560 | -0.406523 | 0 | Y2AlZn | 0 | ['Y', 'Al', 'Zn'] | # generated using pymatgen
data_Y2AlZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09392654
_cell_length_b 5.09392654
_cell_length_c 5.09392654
_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_Y2AlZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.20390000
_cell_length_b 7.20390000
_cell_length_c 7.20390000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
369 | 34,714 | mp-1219830 | -0.262569 | 0 | Pr3MgAl2 | 0.032658 | ['Al', 'Mg', 'Pr'] | # generated using pymatgen
data_Pr3MgAl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74122000
_cell_length_b 3.74122000
_cell_length_c 11.84662400
_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_Pr3MgAl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74122000
_cell_length_b 3.74122000
_cell_length_c 11.84662400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
370 | 29,974 | mp-977568 | -0.735957 | 0 | ZrSnPd2 | 0.017938 | ['Zr', 'Sn', 'Pd'] | # generated using pymatgen
data_ZrSnPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70155723
_cell_length_b 4.70155723
_cell_length_c 4.70155723
_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_ZrSnPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.64900600
_cell_length_b 6.64900600
_cell_length_c 6.64900600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
371 | 5,361 | mp-505531 | -0.757921 | 0 | FeS | 0 | ['Fe', 'S'] | # generated using pymatgen
data_FeS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.59555500
_cell_length_b 3.59555500
_cell_length_c 5.45443500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeS... | 129 | 129 | # generated using pymatgen
data_FeS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.59555500
_cell_length_b 3.59555500
_cell_length_c 5.45443500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeS... |
372 | 34,577 | mp-1111651 | -1.762872 | 3.1839 | K2NaAsCl6 | 0.033359 | ['As', 'Cl', 'K', 'Na'] | # generated using pymatgen
data_K2NaAsCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.41103910
_cell_length_b 7.41103910
_cell_length_c 7.41103910
_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_K2NaAsCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.48079201
_cell_length_b 10.48079201
_cell_length_c 10.48079201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
373 | 22,919 | mp-752413 | -3.669893 | 3.8404 | Ca2HfO4 | 0.003925 | ['Ca', 'Hf', 'O'] | # generated using pymatgen
data_Ca2HfO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27935800
_cell_length_b 5.74887000
_cell_length_c 9.92522100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 55 | 55 | # generated using pymatgen
data_Ca2HfO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27935800
_cell_length_b 5.74887000
_cell_length_c 9.92522100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
374 | 29,046 | mp-1101405 | -1.116959 | 0.3179 | Rb2O | 0.01621 | ['O', 'Rb'] | # generated using pymatgen
data_Rb2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.38196000
_cell_length_b 6.43319900
_cell_length_c 6.63174400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Rb... | 58 | 58 | # generated using pymatgen
data_Rb2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.38196000
_cell_length_b 6.43319900
_cell_length_c 6.63174400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Rb... |
375 | 13,507 | mp-10183 | -0.627342 | 0 | MgSbPd | 0 | ['Mg', 'Sb', 'Pd'] | # generated using pymatgen
data_MgSbPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49245586
_cell_length_b 4.49245586
_cell_length_c 4.49245586
_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_MgSbPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.35329201
_cell_length_b 6.35329201
_cell_length_c 6.35329201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
376 | 23,715 | mp-1223111 | -0.819118 | 0 | La4Bi2Pb | 0.005958 | ['Bi', 'La', 'Pb'] | # generated using pymatgen
data_La4Bi2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.57218607
_cell_length_b 8.57218607
_cell_length_c 8.57218607
_cell_angle_alpha 109.56001434
_cell_angle_beta 109.56001434
_cell_angle_gamma 109.29377881
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 122 | 122 | # generated using pymatgen
data_La4Bi2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.88745800
_cell_length_b 9.88745800
_cell_length_c 9.91997200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
377 | 2,228 | mp-1228810 | -0.67341 | 1.4914 | AsIrSe | 0 | ['As', 'Ir', 'Se'] | # generated using pymatgen
data_AsIrSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02035700
_cell_length_b 6.02035700
_cell_length_c 6.02035700
_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_AsIrSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02035700
_cell_length_b 6.02035700
_cell_length_c 6.02035700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
378 | 18,140 | mp-1205409 | -1.011476 | 0.0231 | Eu3(AlP2)2 | 0 | ['Al', 'Eu', 'P'] | # generated using pymatgen
data_Eu3(AlP2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.23255810
_cell_length_b 8.23255810
_cell_length_c 6.57787093
_cell_angle_alpha 89.74331736
_cell_angle_beta 89.74331736
_cell_angle_gamma 75.74014959
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 15 | 15 | # generated using pymatgen
data_Eu3(AlP2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.99764200
_cell_length_b 10.10749000
_cell_length_c 6.57787093
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.32516037
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
379 | 35,159 | mp-1208480 | -0.700608 | 0 | Tb3Co2Si3 | 0.035415 | ['Co', 'Si', 'Tb'] | # generated using pymatgen
data_Tb3Co2Si3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64785673
_cell_length_b 5.64785673
_cell_length_c 13.69407800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 137.36166805
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 63 | 63 | # generated using pymatgen
data_Tb3Co2Si3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10670200
_cell_length_b 10.52274400
_cell_length_c 13.69407800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
380 | 40,016 | mp-1039463 | -0.043614 | 0 | MgCd | 0.055317 | ['Cd', 'Mg'] | # generated using pymatgen
data_MgCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.09434588
_cell_length_b 6.09434588
_cell_length_c 7.32743518
_cell_angle_alpha 74.86508230
_cell_angle_beta 74.86508230
_cell_angle_gamma 30.51176780
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg... | 8 | 8 | # generated using pymatgen
data_MgCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.75916601
_cell_length_b 3.20721400
_cell_length_c 7.32743518
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.70174446
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
381 | 30,249 | mp-1226064 | -0.622559 | 0 | CoNiS4 | 0.019821 | ['Co', 'Ni', 'S'] | # generated using pymatgen
data_CoNiS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.56687900
_cell_length_b 5.55919000
_cell_length_c 5.58537442
_cell_angle_alpha 89.64135115
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 14 | 14 | # generated using pymatgen
data_CoNiS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55919000
_cell_length_b 5.56687900
_cell_length_c 5.58537442
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.35864885
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
382 | 14,754 | mp-19905 | -0.433571 | 0 | Co2Si | 0 | ['Co', 'Si'] | # generated using pymatgen
data_Co2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.71223400
_cell_length_b 4.88516400
_cell_length_c 7.04589500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | 62 | 62 | # generated using pymatgen
data_Co2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.71223400
_cell_length_b 4.88516400
_cell_length_c 7.04589500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... |
383 | 19,897 | mp-756506 | -2.102618 | 2.6805 | V2NiO6 | 0 | ['Ni', 'O', 'V'] | # generated using pymatgen
data_V2NiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.85650471
_cell_length_b 6.78009824
_cell_length_c 6.78004157
_cell_angle_alpha 95.92859065
_cell_angle_beta 74.57076818
_cell_angle_gamma 105.42902828
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_V2NiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.07149149
_cell_length_b 9.07978253
_cell_length_c 5.85650471
_cell_angle_alpha 90.00000000
_cell_angle_beta 110.98979050
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
384 | 10,651 | mp-1216876 | -0.403487 | 0 | TiGaNi6 | 0 | ['Ga', 'Ni', 'Ti'] | # generated using pymatgen
data_TiGaNi6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.58826700
_cell_length_b 3.58826700
_cell_length_c 7.12844500
_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_TiGaNi6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.58826700
_cell_length_b 3.58826700
_cell_length_c 7.12844500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
385 | 42,410 | mp-755976 | -2.289028 | 1.3587 | Li2MnV4FeO12 | 0.064043 | ['Fe', 'Li', 'Mn', 'O', 'V'] | # generated using pymatgen
data_Li2MnV4FeO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.99287548
_cell_length_b 6.99287548
_cell_length_c 5.82796424
_cell_angle_alpha 74.53045529
_cell_angle_beta 74.53045529
_cell_angle_gamma 83.17459747
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 5 | 5 | # generated using pymatgen
data_Li2MnV4FeO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.46057601
_cell_length_b 9.28318801
_cell_length_c 5.82796424
_cell_angle_alpha 90.00000000
_cell_angle_beta 110.89226216
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... |
386 | 41,335 | mp-28916 | -0.157463 | 0 | Mn3As2 | 0.058991 | ['As', 'Mn'] | # generated using pymatgen
data_Mn3As2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.66496671
_cell_length_b 6.66496671
_cell_length_c 8.70218319
_cell_angle_alpha 50.04048548
_cell_angle_beta 50.04048548
_cell_angle_gamma 30.27843579
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_Mn3As2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.86730601
_cell_length_b 3.48131600
_cell_length_c 8.70218319
_cell_angle_alpha 90.00000000
_cell_angle_beta 131.70820671
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
387 | 12,658 | mp-1213070 | -0.612732 | 0 | Eu2Sn | 0 | ['Eu', 'Sn'] | # generated using pymatgen
data_Eu2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41622000
_cell_length_b 7.42528300
_cell_length_c 10.11408900
_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_Eu2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41622000
_cell_length_b 7.42528300
_cell_length_c 10.11408900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
388 | 6,906 | mp-646399 | -0.649132 | 0 | Gd(NiGe)2 | 0 | ['Gd', 'Ge', 'Ni'] | # generated using pymatgen
data_Gd(NiGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.74089015
_cell_length_b 5.74089015
_cell_length_c 5.74089015
_cell_angle_alpha 138.31962091
_cell_angle_beta 138.31962091
_cell_angle_gamma 60.41383538
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Gd(NiGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08478800
_cell_length_b 4.08478800
_cell_length_c 9.92271600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
389 | 5,379 | mp-560338 | -3.04179 | 3.0873 | CrF3 | 0 | ['Cr', 'F'] | # generated using pymatgen
data_CrF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08029549
_cell_length_b 5.40501204
_cell_length_c 5.08007547
_cell_angle_alpha 61.97233815
_cell_angle_beta 119.99558022
_cell_angle_gamma 118.02846963
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 167 | 167 | # generated using pymatgen
data_CrF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08018548
_cell_length_b 5.08018548
_cell_length_c 13.62037795
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
390 | 3,589 | mp-1106367 | -0.187539 | 1.0475 | HgS4 | 0 | ['Hg', 'S'] | # generated using pymatgen
data_HgS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.68937700
_cell_length_b 12.17338700
_cell_length_c 13.19251900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 57 | 57 | # generated using pymatgen
data_HgS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.68937700
_cell_length_b 12.17338700
_cell_length_c 13.19251900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
391 | 41,110 | mp-1176480 | -2.519971 | 0.2258 | Mn3(OF2)2 | 0.060855 | ['F', 'Mn', 'O'] | # generated using pymatgen
data_Mn3(OF2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82058900
_cell_length_b 5.78982915
_cell_length_c 7.96639256
_cell_angle_alpha 86.41273657
_cell_angle_beta 89.67004224
_cell_angle_gamma 88.71363795
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 2 | 2 | # generated using pymatgen
data_Mn3(OF2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82058900
_cell_length_b 5.78982915
_cell_length_c 7.96639256
_cell_angle_alpha 86.41273657
_cell_angle_beta 89.67004224
_cell_angle_gamma 88.71363795
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
392 | 26,727 | mp-1221404 | -1.083895 | 1.2358 | MoSeS | 0.010746 | ['Mo', 'S', 'Se'] | # generated using pymatgen
data_MoSeS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25797019
_cell_length_b 3.25797019
_cell_length_c 14.26265400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000379
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_MoSeS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25797019
_cell_length_b 3.25797019
_cell_length_c 14.26265400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
393 | 19,814 | mp-3248 | -2.846755 | 3.6687 | TbAsO4 | 0 | ['As', 'O', 'Tb'] | # generated using pymatgen
data_TbAsO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99841664
_cell_length_b 5.99841664
_cell_length_c 5.99841664
_cell_angle_alpha 106.42893963
_cell_angle_beta 106.42893963
_cell_angle_gamma 115.74381815
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 141 | 141 | # generated using pymatgen
data_TbAsO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.18396000
_cell_length_b 7.18396000
_cell_length_c 6.38008200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
394 | 29,236 | mp-1223378 | -2.122417 | 4.9142 | KNa4Cl5 | 0.016916 | ['Cl', 'K', 'Na'] | # generated using pymatgen
data_KNa4Cl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.17073224
_cell_length_b 7.17073224
_cell_length_c 10.15744926
_cell_angle_alpha 61.80331254
_cell_angle_beta 61.80331254
_cell_angle_gamma 33.42810807
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_KNa4Cl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.73556600
_cell_length_b 4.12454000
_cell_length_c 10.15744926
_cell_angle_alpha 90.00000000
_cell_angle_beta 119.56051602
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
395 | 8,530 | mp-1078184 | -1.547218 | 0 | Eu4Bi2O | 0 | ['Bi', 'Eu', 'O'] | # generated using pymatgen
data_Eu4Bi2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.33571838
_cell_length_b 9.33571838
_cell_length_c 9.33571838
_cell_angle_alpha 149.34164267
_cell_angle_beta 149.34164267
_cell_angle_gamma 43.90866686
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 139 | 139 | # generated using pymatgen
data_Eu4Bi2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.93606000
_cell_length_b 4.93606000
_cell_length_c 17.31742400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
396 | 6,288 | mp-29733 | -0.20031 | 0 | MgNiBi | 0 | ['Mg', 'Ni', 'Bi'] | # generated using pymatgen
data_MgNiBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44018369
_cell_length_b 4.44018369
_cell_length_c 4.44018369
_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_MgNiBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.27936799
_cell_length_b 6.27936799
_cell_length_c 6.27936799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
397 | 31,799 | mp-1516433 | -3.36449 | 2.9563 | Ba2LaNbO6 | 0.023492 | ['Ba', 'La', 'Nb', 'O'] | # generated using pymatgen
data_Ba2LaNbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.21053727
_cell_length_b 6.21053727
_cell_length_c 6.21053727
_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_Ba2LaNbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.78302604
_cell_length_b 8.78302604
_cell_length_c 8.78302604
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
398 | 18,316 | mp-30254 | -0.519011 | 0 | Ba3(LiSn2)4 | 0 | ['Ba', 'Li', 'Sn'] | # generated using pymatgen
data_Ba3(LiSn2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.96705371
_cell_length_b 9.96705371
_cell_length_c 6.89966016
_cell_angle_alpha 81.77321006
_cell_angle_beta 81.77321006
_cell_angle_gamma 39.76064010
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 12 | 12 | # generated using pymatgen
data_Ba3(LiSn2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 18.74613399
_cell_length_b 6.77872400
_cell_length_c 6.89966016
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.75210328
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
399 | 3,457 | mp-865400 | -1.082468 | 0 | ThPt3 | 0 | ['Th', 'Pt'] | # generated using pymatgen
data_ThPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93337880
_cell_length_b 5.93337880
_cell_length_c 5.01924300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000890
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_ThPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93337880
_cell_length_b 5.93337880
_cell_length_c 5.01924300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
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