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 |
|---|---|---|---|---|---|---|---|---|---|---|---|
24,300 | 28,360 | mp-36100 | -2.362486 | 2.084 | Ca(SmS2)2 | 0.014135 | ['Ca', 'S', 'Sm'] | # generated using pymatgen
data_Ca(SmS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.36281064
_cell_length_b 7.36281064
_cell_length_c 7.36281064
_cell_angle_alpha 109.59167642
_cell_angle_beta 109.59167642
_cell_angle_gamma 109.23057673
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 122 | 122 | # generated using pymatgen
data_Ca(SmS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.48919800
_cell_length_b 8.48919800
_cell_length_c 8.52707200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,301 | 34,864 | mp-563025 | -1.536326 | 1.0646 | Na6PbO5 | 0.033762 | ['Na', 'O', 'Pb'] | # generated using pymatgen
data_Na6PbO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.30155128
_cell_length_b 6.30155128
_cell_length_c 6.30155128
_cell_angle_alpha 103.19806458
_cell_angle_beta 103.19806458
_cell_angle_gamma 122.91293818
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 107 | 107 | # generated using pymatgen
data_Na6PbO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.82855600
_cell_length_b 7.82855600
_cell_length_c 6.02209400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,302 | 44,995 | mvc-16768 | -1.621261 | 0 | Mg(TiS2)2 | 0.077183 | ['Mg', 'S', 'Ti'] | # generated using pymatgen
data_Mg(TiS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.08970011
_cell_length_b 7.08970011
_cell_length_c 7.08970011
_cell_angle_alpha 119.62658354
_cell_angle_beta 119.58873348
_cell_angle_gamma 90.68091250
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 74 | 74 | # generated using pymatgen
data_Mg(TiS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.12967800
_cell_length_b 7.13372600
_cell_length_c 9.96659599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,303 | 15,135 | mp-1206555 | -0.297991 | 0 | Dy2CdCu2 | 0 | ['Cd', 'Cu', 'Dy'] | # generated using pymatgen
data_Dy2CdCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.63002800
_cell_length_b 7.63002800
_cell_length_c 3.65158000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 127 | 127 | # generated using pymatgen
data_Dy2CdCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.63002800
_cell_length_b 7.63002800
_cell_length_c 3.65158000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,304 | 5,370 | mp-5493 | -0.774192 | 0 | PrSi2Ni | 0 | ['Ni', 'Pr', 'Si'] | # generated using pymatgen
data_PrSi2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.49376912
_cell_length_b 8.49376912
_cell_length_c 4.06612100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 151.58631016
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_PrSi2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16913600
_cell_length_b 16.46799200
_cell_length_c 4.06612100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,305 | 1,486 | mp-9244 | -0.375709 | 1.1272 | LiBC | 0 | ['Li', 'B', 'C'] | # generated using pymatgen
data_LiBC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.74906241
_cell_length_b 2.74906241
_cell_length_c 7.01974200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000983
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | 194 | 194 | # generated using pymatgen
data_LiBC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.74906241
_cell_length_b 2.74906241
_cell_length_c 7.01974200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... |
24,306 | 20,905 | mp-632172 | 0.000643 | 9.4428 | H2 | 0.000643 | ['H'] | # generated using pymatgen
data_H2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.52260974
_cell_length_b 3.52260974
_cell_length_c 3.52260974
_cell_angle_alpha 101.51595987
_cell_angle_beta 101.51595987
_cell_angle_gamma 126.92135415
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... | 139 | 139 | # generated using pymatgen
data_H2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45678800
_cell_length_b 4.45678800
_cell_length_c 3.14788800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H2
_... |
24,307 | 34,608 | mp-1176417 | -1.739851 | 3.0072 | MnTeO3 | 0.033705 | ['Mn', 'O', 'Te'] | # generated using pymatgen
data_MnTeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50273500
_cell_length_b 6.20807000
_cell_length_c 7.87937700
_cell_angle_alpha 90.00004027
_cell_angle_beta 89.99960583
_cell_angle_gamma 90.00011785
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 62 | 62 | # generated using pymatgen
data_MnTeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50273500
_cell_length_b 6.20807000
_cell_length_c 7.87937700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,308 | 10,904 | mp-7550 | -3.473766 | 0 | CeNbO4 | 0 | ['Ce', 'Nb', 'O'] | # generated using pymatgen
data_CeNbO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.74155455
_cell_length_b 6.74155455
_cell_length_c 5.20329046
_cell_angle_alpha 69.86798017
_cell_angle_beta 69.86798017
_cell_angle_gamma 115.55416452
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_CeNbO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.18939200
_cell_length_b 11.40644001
_cell_length_c 5.20329046
_cell_angle_alpha 90.00000000
_cell_angle_beta 130.20238129
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,309 | 25,861 | mp-24411 | -0.367347 | 2.4456 | K2LiAlH6 | 0.009219 | ['Al', 'H', 'K', 'Li'] | # generated using pymatgen
data_K2LiAlH6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52827395
_cell_length_b 5.52827395
_cell_length_c 5.52827395
_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_K2LiAlH6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.81816000
_cell_length_b 7.81816000
_cell_length_c 7.81816000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,310 | 22,009 | mp-10264 | -0.401724 | 0 | NiTe | 0.002534 | ['Ni', 'Te'] | # generated using pymatgen
data_NiTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.05811794
_cell_length_b 7.05811794
_cell_length_c 7.05811789
_cell_angle_alpha 31.71102413
_cell_angle_beta 31.71102413
_cell_angle_gamma 31.71102054
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ni... | 166 | 166 | # generated using pymatgen
data_NiTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.85673020
_cell_length_b 3.85673020
_cell_length_c 20.09303741
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,311 | 28,580 | mp-1181137 | 0.00974 | 0 | GdFe5 | 0.015075 | ['Fe', 'Gd'] | # generated using pymatgen
data_GdFe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08429644
_cell_length_b 5.08429644
_cell_length_c 3.92137200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000568
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 191 | 191 | # generated using pymatgen
data_GdFe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08429644
_cell_length_b 5.08429644
_cell_length_c 3.92137200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,312 | 3,138 | mp-1206386 | -0.256392 | 0 | Mg(Co2Ge3)2 | 0 | ['Co', 'Ge', 'Mg'] | # generated using pymatgen
data_Mg(Co2Ge3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.15836278
_cell_length_b 6.15836278
_cell_length_c 6.15836278
_cell_angle_alpha 119.87433961
_cell_angle_beta 119.87433961
_cell_angle_gamma 90.21778832
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 121 | 121 | # generated using pymatgen
data_Mg(Co2Ge3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.17005600
_cell_length_b 6.17005600
_cell_length_c 8.69267200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,313 | 34,994 | mvc-14327 | -2.31532 | 1.5869 | ZnCoF5 | 0.03395 | ['Co', 'F', 'Zn'] | # generated using pymatgen
data_ZnCoF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.32057376
_cell_length_b 5.30144948
_cell_length_c 7.48752569
_cell_angle_alpha 97.70512871
_cell_angle_beta 110.68296730
_cell_angle_gamma 108.25464775
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 9 | 9 | # generated using pymatgen
data_ZnCoF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.60725775
_cell_length_b 6.22437607
_cell_length_c 7.49868588
_cell_angle_alpha 90.00000000
_cell_angle_beta 116.10039976
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,314 | 15,902 | mp-643002 | -0.44399 | 3.4486 | Mg2H6Os | 0 | ['Mg', 'H', 'Os'] | # generated using pymatgen
data_Mg2H6Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72368684
_cell_length_b 4.72368684
_cell_length_c 4.72368684
_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_Mg2H6Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.68030199
_cell_length_b 6.68030199
_cell_length_c 6.68030199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,315 | 3,666 | mp-1212843 | -4.467982 | 7.7755 | DyF3 | 0 | ['Dy', 'F'] | # generated using pymatgen
data_DyF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78586800
_cell_length_b 6.23510100
_cell_length_c 6.90562000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy... | 62 | 62 | # generated using pymatgen
data_DyF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78586800
_cell_length_b 6.23510100
_cell_length_c 6.90562000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Dy... |
24,316 | 30,069 | mp-1178549 | -2.960733 | 1.5969 | AlVO3 | 0.019816 | ['Al', 'O', 'V'] | # generated using pymatgen
data_AlVO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96128500
_cell_length_b 9.55295269
_cell_length_c 4.96100508
_cell_angle_alpha 74.95211291
_cell_angle_beta 120.00094533
_cell_angle_gamma 105.04584191
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 148 | 148 | # generated using pymatgen
data_AlVO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96117958
_cell_length_b 4.96117958
_cell_length_c 13.67044351
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,317 | 850 | mp-1207274 | -0.435785 | 0 | LiGaIr | 0 | ['Ga', 'Ir', 'Li'] | # generated using pymatgen
data_LiGaIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07635167
_cell_length_b 4.07635167
_cell_length_c 5.51514100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999456
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_LiGaIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07635167
_cell_length_b 4.07635167
_cell_length_c 5.51514100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,318 | 4,603 | mp-1183115 | -3.690019 | 4.1024 | AcAlO3 | 0 | ['Ac', 'Al', 'O'] | # generated using pymatgen
data_AcAlO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.88575000
_cell_length_b 3.88575000
_cell_length_c 3.88575000
_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_AcAlO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.88575000
_cell_length_b 3.88575000
_cell_length_c 3.88575000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,319 | 1,515 | mp-10470 | -0.840849 | 0 | NbSiRh | 0 | ['Nb', 'Si', 'Rh'] | # generated using pymatgen
data_NbSiRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.77747100
_cell_length_b 6.45342000
_cell_length_c 7.36793900
_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_NbSiRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.77747100
_cell_length_b 6.45342000
_cell_length_c 7.36793900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,320 | 38,544 | mp-1095694 | -0.174034 | 0.0133 | Ag2S | 0.048647 | ['Ag', 'S'] | # generated using pymatgen
data_Ag2S
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43162300
_cell_length_b 7.00321000
_cell_length_c 7.30391400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ag... | 19 | 19 | # generated using pymatgen
data_Ag2S
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43162300
_cell_length_b 7.00321000
_cell_length_c 7.30391400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ag... |
24,321 | 25,934 | mp-715262 | -1.472246 | 0 | FeO | 0.00928 | ['Fe', 'O'] | # generated using pymatgen
data_FeO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.07798566
_cell_length_b 3.07798493
_cell_length_c 5.25633287
_cell_angle_alpha 77.33374101
_cell_angle_beta 102.66624768
_cell_angle_gamma 117.26787707
_symmetry_Int_Tables_number 1
_chemical_formula_structural F... | 139 | 139 | # generated using pymatgen
data_FeO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.20420683
_cell_length_b 3.20420683
_cell_length_c 4.16678450
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeO... |
24,322 | 3,386 | mp-567909 | -0.486692 | 0 | Pr(NiSn)2 | 0 | ['Ni', 'Pr', 'Sn'] | # generated using pymatgen
data_Pr(NiSn)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.13468358
_cell_length_b 6.13468358
_cell_length_c 6.13468358
_cell_angle_alpha 137.60543577
_cell_angle_beta 137.60543577
_cell_angle_gamma 61.50783246
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Pr(NiSn)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43636200
_cell_length_b 4.43636200
_cell_length_c 10.54394399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,323 | 6,730 | mp-1245429 | -1.510275 | 0 | MgZrN2 | 0 | ['Mg', 'N', 'Zr'] | # generated using pymatgen
data_MgZrN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49404200
_cell_length_b 4.49404200
_cell_length_c 5.61499487
_cell_angle_alpha 113.58892501
_cell_angle_beta 113.58893615
_cell_angle_gamma 90.00048447
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 141 | 141 | # generated using pymatgen
data_MgZrN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49404200
_cell_length_b 4.49404200
_cell_length_c 9.25859401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,324 | 36,606 | mp-1174375 | -2.032496 | 1.5786 | Li5Mn2CoO8 | 0.04057 | ['Co', 'Li', 'Mn', 'O'] | # generated using pymatgen
data_Li5Mn2CoO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98010600
_cell_length_b 5.12676801
_cell_length_c 5.85154230
_cell_angle_alpha 107.79764418
_cell_angle_beta 89.25598631
_cell_angle_gamma 99.96188447
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 1 | 1 | # generated using pymatgen
data_Li5Mn2CoO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98010600
_cell_length_b 5.12676801
_cell_length_c 5.85154230
_cell_angle_alpha 107.79764418
_cell_angle_beta 89.25598631
_cell_angle_gamma 99.96188447
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,325 | 10,509 | mp-1018811 | -0.395427 | 0 | NbGeSb | 0 | ['Ge', 'Nb', 'Sb'] | # generated using pymatgen
data_NbGeSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74915600
_cell_length_b 3.74915600
_cell_length_c 8.29512600
_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_NbGeSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74915600
_cell_length_b 3.74915600
_cell_length_c 8.29512600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,326 | 29,242 | mp-1223967 | -0.615229 | 2.515 | Hg2I3Br | 0.017405 | ['Br', 'Hg', 'I'] | # generated using pymatgen
data_Hg2I3Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56726613
_cell_length_b 4.56726613
_cell_length_c 14.07070788
_cell_angle_alpha 88.75777066
_cell_angle_beta 88.75777066
_cell_angle_gamma 69.41849207
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 8 | 8 | # generated using pymatgen
data_Hg2I3Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.50906201
_cell_length_b 5.20131400
_cell_length_c 14.07070788
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.51118883
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,327 | 12,036 | mp-1078664 | -2.460613 | 0.6671 | Pr2Mn2Se2O3 | 0 | ['Mn', 'O', 'Pr', 'Se'] | # generated using pymatgen
data_Pr2Mn2Se2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.98442841
_cell_length_b 9.98442841
_cell_length_c 9.98442841
_cell_angle_alpha 155.88772743
_cell_angle_beta 155.88772743
_cell_angle_gamma 34.36145494
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 139 | 139 | # generated using pymatgen
data_Pr2Mn2Se2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17089400
_cell_length_b 4.17089400
_cell_length_c 19.07780200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,328 | 41,104 | mp-1173925 | -1.827306 | 0.0921 | Li3Mn(CoO3)2 | 0.060789 | ['Co', 'Li', 'Mn', 'O'] | # generated using pymatgen
data_Li3Mn(CoO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11333130
_cell_length_b 5.11333130
_cell_length_c 5.14282915
_cell_angle_alpha 80.87999296
_cell_angle_beta 80.87999296
_cell_angle_gamma 120.96237287
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 12 | 12 | # generated using pymatgen
data_Li3Mn(CoO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03877200
_cell_length_b 8.89918000
_cell_length_c 5.14282915
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.76555147
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
24,329 | 31,705 | mp-1219957 | -0.019827 | 0 | Pr2Co16Cu | 0.023953 | ['Co', 'Cu', 'Pr'] | # generated using pymatgen
data_Pr2Co16Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.32857012
_cell_length_b 6.32857012
_cell_length_c 6.32857003
_cell_angle_alpha 83.65629618
_cell_angle_beta 83.65629618
_cell_angle_gamma 83.65630328
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 160 | 160 | # generated using pymatgen
data_Pr2Co16Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.44102968
_cell_length_b 8.44102968
_cell_length_c 12.11215313
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,330 | 22,226 | mp-1224413 | -0.068447 | 0 | H3Pd4 | 0.002746 | ['H', 'Pd'] | # generated using pymatgen
data_H3Pd4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.59942792
_cell_length_b 9.59942792
_cell_length_c 9.59942803
_cell_angle_alpha 17.41568212
_cell_angle_beta 17.41568212
_cell_angle_gamma 17.41568314
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... | 166 | 166 | # generated using pymatgen
data_H3Pd4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.90663185
_cell_length_b 2.90663185
_cell_length_c 28.35481664
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,331 | 36,046 | mp-1104238 | -0.642424 | 0 | Tm3Ga8Ir3 | 0.037745 | ['Ga', 'Ir', 'Tm'] | # generated using pymatgen
data_Tm3Ga8Ir3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.13879132
_cell_length_b 8.13879132
_cell_length_c 8.13879132
_cell_angle_alpha 150.18432497
_cell_angle_beta 104.57745163
_cell_angle_gamma 83.14725815
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 71 | 71 | # generated using pymatgen
data_Tm3Ga8Ir3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.18765200
_cell_length_b 9.95671600
_cell_length_c 12.17731800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,332 | 45,082 | mp-1220502 | -0.470858 | 0 | Nb5Ir7 | 0.079589 | ['Ir', 'Nb'] | # generated using pymatgen
data_Nb5Ir7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.85367300
_cell_length_b 4.86285500
_cell_length_c 13.77393500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 25 | 25 | # generated using pymatgen
data_Nb5Ir7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.85367300
_cell_length_b 4.86285500
_cell_length_c 13.77393500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,333 | 25,140 | mp-1188285 | -0.524143 | 0 | HoGa3 | 0.008384 | ['Ga', 'Ho'] | # generated using pymatgen
data_HoGa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.15561305
_cell_length_b 6.15561305
_cell_length_c 9.52994400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998976
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_HoGa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.15561305
_cell_length_b 6.15561305
_cell_length_c 9.52994400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,334 | 38,433 | mp-761891 | -3.057205 | 0 | Li3Ti4O8 | 0.046665 | ['Li', 'O', 'Ti'] | # generated using pymatgen
data_Li3Ti4O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.85040026
_cell_length_b 5.85040026
_cell_length_c 5.82602306
_cell_angle_alpha 60.83786627
_cell_angle_beta 60.83786627
_cell_angle_gamma 91.42241128
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_Li3Ti4O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.17038000
_cell_length_b 8.37577600
_cell_length_c 5.82602306
_cell_angle_alpha 90.00000000
_cell_angle_beta 134.25375779
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,335 | 13,315 | mp-2960 | -0.727332 | 0 | HfSnRh | 0 | ['Hf', 'Sn', 'Rh'] | # generated using pymatgen
data_HfSnRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38848191
_cell_length_b 7.38848191
_cell_length_c 7.24159600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999917
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 190 | 190 | # generated using pymatgen
data_HfSnRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38848191
_cell_length_b 7.38848191
_cell_length_c 7.24159600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,336 | 19,955 | mp-867219 | -0.732558 | 0.0361 | Sr2GaGeN | 0 | ['Ga', 'Ge', 'N', 'Sr'] | # generated using pymatgen
data_Sr2GaGeN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10269000
_cell_length_b 6.96182500
_cell_length_c 8.81559647
_cell_angle_alpha 71.42712328
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 11 | 11 | # generated using pymatgen
data_Sr2GaGeN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.96182500
_cell_length_b 4.10269000
_cell_length_c 8.81559647
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.57287672
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,337 | 36,293 | mp-1519183 | -3.202283 | 2.0628 | KSrCeNbO6 | 0.037881 | ['Ce', 'K', 'Nb', 'O', 'Sr'] | # generated using pymatgen
data_KSrCeNbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.01483462
_cell_length_b 6.01483462
_cell_length_c 6.01483462
_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_KSrCeNbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.50626070
_cell_length_b 8.50626070
_cell_length_c 8.50626070
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,338 | 39,200 | mp-1219629 | -2.208099 | 0 | RbCoCuF6 | 0.050692 | ['Co', 'Cu', 'F', 'Rb'] | # generated using pymatgen
data_RbCoCuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.30577303
_cell_length_b 7.30577303
_cell_length_c 7.30577303
_cell_angle_alpha 120.60457881
_cell_angle_beta 119.50977451
_cell_angle_gamma 89.90361505
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 74 | 74 | # generated using pymatgen
data_RbCoCuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.23891000
_cell_length_b 7.35984000
_cell_length_c 10.34061001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,339 | 37,531 | mp-1080683 | -1.743567 | 0 | CsEuS2 | 0.043711 | ['Cs', 'Eu', 'S'] | # generated using pymatgen
data_CsEuS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26647411
_cell_length_b 4.26647411
_cell_length_c 16.02653000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000176
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_CsEuS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26647411
_cell_length_b 4.26647411
_cell_length_c 16.02653000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,340 | 16,369 | mp-569151 | -0.454235 | 0 | MnGaPt | 0 | ['Mn', 'Ga', 'Pt'] | # generated using pymatgen
data_MnGaPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35127862
_cell_length_b 4.35127862
_cell_length_c 5.54868000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000939
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_MnGaPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35127862
_cell_length_b 4.35127862
_cell_length_c 5.54868000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,341 | 27,626 | mp-1187679 | -0.933498 | 0 | TmInPt2 | 0.01355 | ['In', 'Pt', 'Tm'] | # generated using pymatgen
data_TmInPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76920896
_cell_length_b 4.76920896
_cell_length_c 4.76920896
_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_TmInPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.74467999
_cell_length_b 6.74467999
_cell_length_c 6.74467999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,342 | 42,868 | mp-753231 | -2.96749 | 0 | Li2V4O3F8 | 0.066004 | ['F', 'Li', 'O', 'V'] | # generated using pymatgen
data_Li2V4O3F8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.14845000
_cell_length_b 6.59510061
_cell_length_c 6.88974492
_cell_angle_alpha 107.94249104
_cell_angle_beta 105.38024861
_cell_angle_gamma 96.80875727
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 2 | 2 | # generated using pymatgen
data_Li2V4O3F8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.14845000
_cell_length_b 6.59510061
_cell_length_c 6.88974492
_cell_angle_alpha 107.94249104
_cell_angle_beta 105.38024861
_cell_angle_gamma 96.80875727
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,343 | 25,161 | mp-1208400 | -0.333547 | 0 | Ti5MnSn3 | 0.008262 | ['Mn', 'Sn', 'Ti'] | # generated using pymatgen
data_Ti5MnSn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.25239190
_cell_length_b 8.25239190
_cell_length_c 5.48639100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999921
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 193 | 193 | # generated using pymatgen
data_Ti5MnSn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.25239190
_cell_length_b 8.25239190
_cell_length_c 5.48639100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,344 | 16,871 | mp-4539 | -0.487179 | 0 | Ho(CuGe)2 | 0 | ['Cu', 'Ge', 'Ho'] | # generated using pymatgen
data_Ho(CuGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.91274966
_cell_length_b 5.91274966
_cell_length_c 5.91274966
_cell_angle_alpha 140.09198059
_cell_angle_beta 140.09198059
_cell_angle_gamma 57.71366584
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Ho(CuGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03563800
_cell_length_b 4.03563800
_cell_length_c 10.35710800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,345 | 5,598 | mp-1114486 | -1.77053 | 1.6885 | RbInCl3 | 0 | ['Cl', 'In', 'Rb'] | # generated using pymatgen
data_RbInCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.84292436
_cell_length_b 7.84292436
_cell_length_c 7.84292436
_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_RbInCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.09157000
_cell_length_b 11.09157000
_cell_length_c 11.09157000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,346 | 13,647 | mp-1208759 | -3.515705 | 3.7008 | Sr2NdTaO6 | 0 | ['Nd', 'O', 'Sr', 'Ta'] | # generated using pymatgen
data_Sr2NdTaO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89695003
_cell_length_b 6.07715200
_cell_length_c 8.44091372
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.16872382
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 14 | 14 | # generated using pymatgen
data_Sr2NdTaO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89695003
_cell_length_b 6.07715200
_cell_length_c 10.28250394
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.82530730
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,347 | 9,968 | mp-867301 | -0.779712 | 0 | Tb2MgGe2 | 0 | ['Ge', 'Mg', 'Tb'] | # generated using pymatgen
data_Tb2MgGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.29472600
_cell_length_b 7.29472600
_cell_length_c 4.27890800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 127 | 127 | # generated using pymatgen
data_Tb2MgGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.29472600
_cell_length_b 7.29472600
_cell_length_c 4.27890800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,348 | 4,181 | mp-1215554 | -0.304988 | 0 | Zr2FeCo3 | 0 | ['Co', 'Fe', 'Zr'] | # generated using pymatgen
data_Zr2FeCo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88903869
_cell_length_b 4.88903869
_cell_length_c 4.88903873
_cell_angle_alpha 61.55155994
_cell_angle_beta 61.55155994
_cell_angle_gamma 61.55156130
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_Zr2FeCo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00324396
_cell_length_b 5.00324396
_cell_length_c 11.83329815
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,349 | 31,736 | mp-1225312 | -0.305725 | 0 | DyCoNi | 0.023424 | ['Co', 'Dy', 'Ni'] | # generated using pymatgen
data_DyCoNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03403672
_cell_length_b 5.03403672
_cell_length_c 5.03403672
_cell_angle_alpha 120.56139824
_cell_angle_beta 120.20608098
_cell_angle_gamma 89.33689733
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 74 | 74 | # generated using pymatgen
data_DyCoNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99126000
_cell_length_b 5.01834800
_cell_length_c 7.16028000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,350 | 24,668 | mp-1215623 | -1.658685 | 1.5943 | ZnFe4CoO8 | 0.00699 | ['Co', 'Fe', 'O', 'Zn'] | # generated using pymatgen
data_ZnFe4CoO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.04126012
_cell_length_b 6.04126012
_cell_length_c 6.04126012
_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_ZnFe4CoO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.54363200
_cell_length_b 8.54363200
_cell_length_c 8.54363200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,351 | 34,477 | mp-978101 | -0.495755 | 0 | PrFeGe2 | 0.030441 | ['Fe', 'Ge', 'Pr'] | # generated using pymatgen
data_PrFeGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.51237466
_cell_length_b 8.51237466
_cell_length_c 4.34717400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 150.52071559
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_PrFeGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33155800
_cell_length_b 16.46449801
_cell_length_c 4.34717400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,352 | 41,813 | mp-25352 | -1.435551 | 0 | LiNiO2 | 0.062327 | ['Li', 'Ni', 'O'] | # generated using pymatgen
data_LiNiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.94092204
_cell_length_b 2.94101665
_cell_length_c 5.00239603
_cell_angle_alpha 89.98814415
_cell_angle_beta 90.01084013
_cell_angle_gamma 119.98346348
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 156 | 156 | # generated using pymatgen
data_LiNiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.94096934
_cell_length_b 2.94096934
_cell_length_c 5.00239603
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,353 | 35,523 | mp-1076863 | -2.26289 | 0.8775 | Ba2Fe2O5 | 0.036434 | ['Ba', 'Fe', 'O'] | # generated using pymatgen
data_Ba2Fe2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.18571531
_cell_length_b 9.18571531
_cell_length_c 9.18571531
_cell_angle_alpha 143.14522731
_cell_angle_beta 142.42971423
_cell_angle_gamma 53.64658053
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 46 | 46 | # generated using pymatgen
data_Ba2Fe2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80725600
_cell_length_b 5.91597200
_cell_length_c 16.39471000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,354 | 265 | mp-755893 | -2.264223 | 0.6887 | CaBiO3 | 0 | ['Bi', 'Ca', 'O'] | # generated using pymatgen
data_CaBiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.06443200
_cell_length_b 5.80646800
_cell_length_c 10.22269878
_cell_angle_alpha 55.41793685
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 14 | 14 | # generated using pymatgen
data_CaBiO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80646800
_cell_length_b 6.06443200
_cell_length_c 10.22269878
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.58206315
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,355 | 23,153 | mp-12107 | -0.844241 | 0 | TiPt3 | 0.004944 | ['Ti', 'Pt'] | # generated using pymatgen
data_TiPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.95197100
_cell_length_b 3.95197100
_cell_length_c 3.95197100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | 221 | 221 | # generated using pymatgen
data_TiPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.95197100
_cell_length_b 3.95197100
_cell_length_c 3.95197100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... |
24,356 | 29,229 | mp-1221520 | -0.543646 | 0.4325 | MnZnCdTe3 | 0.016191 | ['Cd', 'Mn', 'Te', 'Zn'] | # generated using pymatgen
data_MnZnCdTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.09097548
_cell_length_b 10.09097548
_cell_length_c 10.09097548
_cell_angle_alpha 154.18513974
_cell_angle_beta 154.11720269
_cell_angle_gamma 36.87994761
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | 44 | 44 | # generated using pymatgen
data_MnZnCdTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50817400
_cell_length_b 4.51983600
_cell_length_c 19.14572000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,357 | 45,095 | mp-1225147 | -0.662774 | 0 | Fe4Ni4PdS8 | 0.079965 | ['Fe', 'Ni', 'Pd', 'S'] | # generated using pymatgen
data_Fe4Ni4PdS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.12148735
_cell_length_b 7.12148735
_cell_length_c 7.12148735
_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_Fe4Ni4PdS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.07130399
_cell_length_b 10.07130399
_cell_length_c 10.07130399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
24,358 | 6,710 | mp-1223046 | -0.466998 | 0 | LaMnFeGe2 | 0 | ['Fe', 'Ge', 'La', 'Mn'] | # generated using pymatgen
data_LaMnFeGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08959160
_cell_length_b 6.08959160
_cell_length_c 6.08959160
_cell_angle_alpha 140.54961669
_cell_angle_beta 140.54961669
_cell_angle_gamma 57.01972730
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 119 | 119 | # generated using pymatgen
data_LaMnFeGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11058600
_cell_length_b 4.11058600
_cell_length_c 10.70227400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,359 | 10,180 | mp-1220879 | -0.865303 | 0.6857 | NaSbSe2 | 0 | ['Na', 'Sb', 'Se'] | # generated using pymatgen
data_NaSbSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.48145099
_cell_length_b 7.48145099
_cell_length_c 7.48145134
_cell_angle_alpha 32.24030491
_cell_angle_beta 32.24030491
_cell_angle_gamma 32.24030366
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_NaSbSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.15448813
_cell_length_b 4.15448813
_cell_length_c 21.25957855
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,360 | 14,340 | mp-3570 | -1.241575 | 0 | NdPPd | 0 | ['Nd', 'P', 'Pd'] | # generated using pymatgen
data_NdPPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24349571
_cell_length_b 4.24349571
_cell_length_c 7.86266400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999545
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_NdPPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24349571
_cell_length_b 4.24349571
_cell_length_c 7.86266400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,361 | 5,880 | mp-568823 | -0.688342 | 0 | YbAu3 | 0 | ['Yb', 'Au'] | # generated using pymatgen
data_YbAu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07578000
_cell_length_b 5.33798600
_cell_length_c 5.83009000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | 59 | 59 | # generated using pymatgen
data_YbAu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07578000
_cell_length_b 5.33798600
_cell_length_c 5.83009000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... |
24,362 | 31,533 | mp-10928 | -0.728551 | 3.909 | BaC2(SN)2 | 0.022828 | ['Ba', 'C', 'N', 'S'] | # generated using pymatgen
data_BaC2(SN)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.37497357
_cell_length_b 6.37497357
_cell_length_c 8.74295010
_cell_angle_alpha 88.30418807
_cell_angle_beta 88.30418807
_cell_angle_gamma 64.65295746
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 15 | 15 | # generated using pymatgen
data_BaC2(SN)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.77389399
_cell_length_b 6.81794400
_cell_length_c 8.74295010
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.00696028
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,363 | 35,228 | mp-1221957 | -0.059123 | 0 | MgIn | 0.035687 | ['In', 'Mg'] | # generated using pymatgen
data_MgIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.35406983
_cell_length_b 3.35406983
_cell_length_c 5.13634476
_cell_angle_alpha 71.76185772
_cell_angle_beta 71.76185772
_cell_angle_gamma 63.29315191
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg... | 12 | 12 | # generated using pymatgen
data_MgIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71064401
_cell_length_b 3.51961400
_cell_length_c 5.13634476
_cell_angle_alpha 90.00000000
_cell_angle_beta 111.56978612
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... |
24,364 | 9,607 | mp-1185995 | -0.196563 | 0 | MnPd2Au | 0 | ['Au', 'Mn', 'Pd'] | # generated using pymatgen
data_MnPd2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50042778
_cell_length_b 4.50042778
_cell_length_c 4.50042778
_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_MnPd2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.36456600
_cell_length_b 6.36456600
_cell_length_c 6.36456600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,365 | 33,298 | mp-1519060 | -3.074402 | 3.471 | BaSrDySbO6 | 0.028287 | ['Ba', 'Dy', 'O', 'Sb', 'Sr'] | # generated using pymatgen
data_BaSrDySbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98390628
_cell_length_b 5.98390628
_cell_length_c 5.98390628
_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_BaSrDySbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.46252142
_cell_length_b 8.46252142
_cell_length_c 8.46252142
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,366 | 39,951 | mp-768828 | -2.054959 | 0 | Li3Cr3CuO8 | 0.053885 | ['Cr', 'Cu', 'Li', 'O'] | # generated using pymatgen
data_Li3Cr3CuO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89891237
_cell_length_b 5.89891237
_cell_length_c 5.89891252
_cell_angle_alpha 59.81110399
_cell_angle_beta 59.81110399
_cell_angle_gamma 59.81110382
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 166 | 166 | # generated using pymatgen
data_Li3Cr3CuO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88206204
_cell_length_b 5.88206204
_cell_length_c 14.46991871
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,367 | 17,698 | mp-1219755 | -1.771152 | 0.3402 | Rb2Cr(BrCl)2 | 0 | ['Br', 'Cl', 'Cr', 'Rb'] | # generated using pymatgen
data_Rb2Cr(BrCl)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.28920081
_cell_length_b 9.28920081
_cell_length_c 7.24652400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 133.99802888
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 64 | 64 | # generated using pymatgen
data_Rb2Cr(BrCl)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.25945400
_cell_length_b 17.10138399
_cell_length_c 7.24652400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
24,368 | 37,484 | mp-997031 | -1.955425 | 0 | MgCuO2 | 0.042655 | ['Mg', 'Cu', 'O'] | # generated using pymatgen
data_MgCuO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15623387
_cell_length_b 5.15623387
_cell_length_c 3.06510900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 107.40935894
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 67 | 67 | # generated using pymatgen
data_MgCuO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.10443800
_cell_length_b 8.31160800
_cell_length_c 3.06510900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,369 | 34,007 | mp-1025151 | -0.697995 | 0 | Cr2NiSe4 | 0.031185 | ['Cr', 'Ni', 'Se'] | # generated using pymatgen
data_Cr2NiSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.58649620
_cell_length_b 6.58649620
_cell_length_c 6.29379294
_cell_angle_alpha 63.66973875
_cell_angle_beta 63.66973875
_cell_angle_gamma 31.78326067
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_Cr2NiSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.66953800
_cell_length_b 3.60701200
_cell_length_c 6.29379294
_cell_angle_alpha 90.00000000
_cell_angle_beta 117.46262624
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,370 | 41,119 | mp-1183236 | 0.060226 | 0 | AcYb3 | 0.060226 | ['Ac', 'Yb'] | # generated using pymatgen
data_AcYb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.13544816
_cell_length_b 6.13544816
_cell_length_c 6.13544816
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | 225 | 225 | # generated using pymatgen
data_AcYb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.67683400
_cell_length_b 8.67683400
_cell_length_c 8.67683400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... |
24,371 | 6,771 | mp-19098 | -3.032738 | 3.2912 | Ba2CaWO6 | 0 | ['Ba', 'Ca', 'O', 'W'] | # generated using pymatgen
data_Ba2CaWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.04663723
_cell_length_b 6.02740740
_cell_length_c 6.02740760
_cell_angle_alpha 59.90927099
_cell_angle_beta 59.82072981
_cell_angle_gamma 59.82073993
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_Ba2CaWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.42901318
_cell_length_b 6.01913981
_cell_length_c 6.04663723
_cell_angle_alpha 90.00000000
_cell_angle_beta 125.34543811
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,372 | 15,316 | mp-3901 | -3.517526 | 3.7723 | NdNbO4 | 0 | ['Nb', 'Nd', 'O'] | # generated using pymatgen
data_NdNbO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.85044406
_cell_length_b 6.85044406
_cell_length_c 5.27976241
_cell_angle_alpha 68.48607074
_cell_angle_beta 68.48607074
_cell_angle_gamma 114.34942170
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_NdNbO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.42696600
_cell_length_b 11.51323201
_cell_length_c 5.27976241
_cell_angle_alpha 90.00000000
_cell_angle_beta 132.57230043
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,373 | 31,962 | mp-972607 | 0.023936 | 0 | SmHo3 | 0.023936 | ['Ho', 'Sm'] | # generated using pymatgen
data_SmHo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.15882275
_cell_length_b 6.15882275
_cell_length_c 6.15882275
_cell_angle_alpha 131.85714543
_cell_angle_beta 131.85714543
_cell_angle_gamma 70.45474394
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_SmHo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02406200
_cell_length_b 5.02406200
_cell_length_c 10.06190800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,374 | 6,819 | mp-27976 | -2.295575 | 2.9293 | SmBr3 | 0 | ['Sm', 'Br'] | # generated using pymatgen
data_SmBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.43822977
_cell_length_b 7.43822977
_cell_length_c 9.24235600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 148.38786436
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_SmBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05208200
_cell_length_b 14.31396800
_cell_length_c 9.24235600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,375 | 16,806 | mp-23861 | -1.835292 | 3.6646 | BaHCl | 0 | ['Ba', 'Cl', 'H'] | # generated using pymatgen
data_BaHCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43532000
_cell_length_b 4.43532000
_cell_length_c 7.31473900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... | 129 | 129 | # generated using pymatgen
data_BaHCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43532000
_cell_length_b 4.43532000
_cell_length_c 7.31473900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... |
24,376 | 37,249 | mp-1224243 | -0.528431 | 0 | HfU(NbC2)2 | 0.041285 | ['C', 'Hf', 'Nb', 'U'] | # generated using pymatgen
data_HfU(NbC2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.03010063
_cell_length_b 11.03010063
_cell_length_c 11.03010016
_cell_angle_alpha 16.96077263
_cell_angle_beta 16.96077263
_cell_angle_gamma 16.96077056
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 160 | 160 | # generated using pymatgen
data_HfU(NbC2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25323616
_cell_length_b 3.25323616
_cell_length_c 32.60701474
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,377 | 30,542 | mp-1100995 | -0.321328 | 0.661 | TlCu7S4 | 0.021175 | ['Cu', 'S', 'Tl'] | # generated using pymatgen
data_TlCu7S4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.83898500
_cell_length_b 7.42789114
_cell_length_c 7.44708377
_cell_angle_alpha 86.28540807
_cell_angle_beta 104.81694300
_cell_angle_gamma 104.78437681
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 1 | 1 | # generated using pymatgen
data_TlCu7S4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.83898500
_cell_length_b 7.42789114
_cell_length_c 7.44708377
_cell_angle_alpha 86.28540807
_cell_angle_beta 104.81694300
_cell_angle_gamma 104.78437681
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,378 | 35,044 | mp-1096845 | -1.718804 | 0.7941 | BaAgO2 | 0.03441 | ['Ag', 'Ba', 'O'] | # generated using pymatgen
data_BaAgO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.30019642
_cell_length_b 6.30019642
_cell_length_c 3.91737563
_cell_angle_alpha 89.49604700
_cell_angle_beta 89.49604700
_cell_angle_gamma 105.29212842
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_BaAgO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.64512400
_cell_length_b 10.01608600
_cell_length_c 3.91737563
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.83061391
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,379 | 31,986 | mp-989601 | -1.199047 | 0.8029 | LaWN3 | 0.023329 | ['La', 'N', 'W'] | # generated using pymatgen
data_LaWN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04746576
_cell_length_b 4.04746576
_cell_length_c 4.04746648
_cell_angle_alpha 89.57171754
_cell_angle_beta 89.57171754
_cell_angle_gamma 89.57172064
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | 160 | 160 | # generated using pymatgen
data_LaWN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.70254817
_cell_length_b 5.70254817
_cell_length_c 7.06262418
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,380 | 14,203 | mp-1221197 | -1.222236 | 0.3878 | Na4Eu(GeSe3)2 | 0 | ['Eu', 'Ge', 'Na', 'Se'] | # generated using pymatgen
data_Na4Eu(GeSe3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.20299979
_cell_length_b 7.20299979
_cell_length_c 8.08145386
_cell_angle_alpha 81.40618065
_cell_angle_beta 81.40618065
_cell_angle_gamma 119.83948971
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | 5 | 5 | # generated using pymatgen
data_Na4Eu(GeSe3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.22046800
_cell_length_b 12.46586001
_cell_length_c 8.08145386
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.34558232
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_stru... |
24,381 | 5,925 | mp-861617 | -0.623589 | 0 | LaHgAu2 | 0 | ['La', 'Hg', 'Au'] | # generated using pymatgen
data_LaHgAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13390919
_cell_length_b 5.13390919
_cell_length_c 5.13390919
_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_LaHgAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.26044400
_cell_length_b 7.26044400
_cell_length_c 7.26044400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,382 | 30,267 | mp-1227986 | -3.434466 | 4.3278 | BaAl2(SiO4)2 | 0.019836 | ['Al', 'Ba', 'O', 'Si'] | # generated using pymatgen
data_BaAl2(SiO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41872431
_cell_length_b 5.41872431
_cell_length_c 7.91866000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000381
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 164 | 164 | # generated using pymatgen
data_BaAl2(SiO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41872431
_cell_length_b 5.41872431
_cell_length_c 7.91866000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
24,383 | 42,791 | mp-1516644 | -3.393325 | 2.8842 | Sr2TbNbO6 | 0.068163 | ['Nb', 'O', 'Sr', 'Tb'] | # generated using pymatgen
data_Sr2TbNbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98607447
_cell_length_b 5.98607447
_cell_length_c 5.98607447
_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_Sr2TbNbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.46558770
_cell_length_b 8.46558770
_cell_length_c 8.46558770
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,384 | 30,929 | mp-772052 | -1.295647 | 1.8945 | CdSeO4 | 0.020636 | ['Cd', 'O', 'Se'] | # generated using pymatgen
data_CdSeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96791500
_cell_length_b 5.02031700
_cell_length_c 6.82050200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 31 | 31 | # generated using pymatgen
data_CdSeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96791500
_cell_length_b 5.02031700
_cell_length_c 6.82050200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,385 | 18,426 | mp-756218 | -2.460201 | 1.1529 | LiVCrO4 | 0 | ['Cr', 'Li', 'O', 'V'] | # generated using pymatgen
data_LiVCrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.97108640
_cell_length_b 5.93252373
_cell_length_c 5.92880457
_cell_angle_alpha 91.20556761
_cell_angle_beta 120.21362364
_cell_angle_gamma 59.74313867
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 74 | 74 | # generated using pymatgen
data_LiVCrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.97108640
_cell_length_b 6.01260209
_cell_length_c 8.29852525
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,386 | 8,298 | mp-29083 | -2.535299 | 5.0118 | NaErCl4 | 0 | ['Cl', 'Er', 'Na'] | # generated using pymatgen
data_NaErCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.72605900
_cell_length_b 6.44508300
_cell_length_c 6.80348363
_cell_angle_alpha 87.25814803
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 13 | 13 | # generated using pymatgen
data_NaErCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44508300
_cell_length_b 7.72605900
_cell_length_c 6.80348363
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.74185197
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,387 | 38,766 | mp-1247066 | -1.202735 | 0 | Mg2VCr3S8 | 0.048144 | ['Cr', 'Mg', 'S', 'V'] | # generated using pymatgen
data_Mg2VCr3S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.23511240
_cell_length_b 7.23118159
_cell_length_c 7.22642154
_cell_angle_alpha 60.08021631
_cell_angle_beta 60.07905826
_cell_angle_gamma 60.06443593
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 166 | 166 | # generated using pymatgen
data_Mg2VCr3S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.23887851
_cell_length_b 7.23887851
_cell_length_c 17.70204058
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,388 | 23,682 | mp-1218852 | -0.546561 | 0 | Sr2CaSn5 | 0.005507 | ['Ca', 'Sn', 'Sr'] | # generated using pymatgen
data_Sr2CaSn5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.79821027
_cell_length_b 6.79821027
_cell_length_c 10.87128100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 101.55399031
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 63 | 63 | # generated using pymatgen
data_Sr2CaSn5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.59756600
_cell_length_b 10.53302000
_cell_length_c 10.87128100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,389 | 2,229 | mp-1229164 | -1.789843 | 0 | Cs(ThSe3)2 | 0 | ['Cs', 'Se', 'Th'] | # generated using pymatgen
data_Cs(ThSe3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.67483054
_cell_length_b 12.67483054
_cell_length_c 12.67483054
_cell_angle_alpha 160.69536677
_cell_angle_beta 154.59130120
_cell_angle_gamma 32.10835940
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | 71 | 71 | # generated using pymatgen
data_Cs(ThSe3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25035200
_cell_length_b 5.57490400
_cell_length_c 24.36104001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,390 | 1,060 | mp-1101770 | -0.380238 | 0 | TmRu2 | 0 | ['Ru', 'Tm'] | # generated using pymatgen
data_TmRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24432396
_cell_length_b 5.24432396
_cell_length_c 8.87149800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.05509614
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_TmRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24432396
_cell_length_b 5.24432396
_cell_length_c 8.87149800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,391 | 5,744 | mp-19804 | -0.463405 | 0 | In2Co3S2 | 0 | ['Co', 'In', 'S'] | # generated using pymatgen
data_In2Co3S2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.49196519
_cell_length_b 5.49196519
_cell_length_c 5.49196428
_cell_angle_alpha 58.09667167
_cell_angle_beta 58.09667167
_cell_angle_gamma 58.09667559
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_In2Co3S2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33321762
_cell_length_b 5.33321762
_cell_length_c 13.64278119
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,392 | 22,849 | mp-470 | -2.073281 | 1.9072 | GeO2 | 0.003792 | ['Ge', 'O'] | # generated using pymatgen
data_GeO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48424700
_cell_length_b 4.48424700
_cell_length_c 2.90798600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ge... | 136 | 136 | # generated using pymatgen
data_GeO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.48424700
_cell_length_b 4.48424700
_cell_length_c 2.90798600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ge... |
24,393 | 3,723 | mp-1415 | -2.258318 | 2.1362 | CaSe | 0 | ['Ca', 'Se'] | # generated using pymatgen
data_CaSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21765012
_cell_length_b 4.21765012
_cell_length_c 4.21765012
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca... | 225 | 225 | # generated using pymatgen
data_CaSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.96465800
_cell_length_b 5.96465800
_cell_length_c 5.96465800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca... |
24,394 | 19,287 | mp-23475 | -1.706268 | 1.4006 | Rb2PbCl6 | 0 | ['Rb', 'Pb', 'Cl'] | # generated using pymatgen
data_Rb2PbCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.43857242
_cell_length_b 7.43857242
_cell_length_c 7.43857242
_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_Rb2PbCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.51973000
_cell_length_b 10.51973000
_cell_length_c 10.51973000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,395 | 42,267 | mp-1239363 | -2.238952 | 0 | Ba2YCo3O8 | 0.063584 | ['Ba', 'Co', 'O', 'Y'] | # generated using pymatgen
data_Ba2YCo3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91400100
_cell_length_b 3.91400700
_cell_length_c 12.10007400
_cell_angle_alpha 90.00003831
_cell_angle_beta 89.99998063
_cell_angle_gamma 90.00002928
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 123 | 123 | # generated using pymatgen
data_Ba2YCo3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91400400
_cell_length_b 3.91400400
_cell_length_c 12.10007400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,396 | 13,163 | mp-1212683 | -0.271839 | 0 | EuMgAg | 0 | ['Ag', 'Eu', 'Mg'] | # generated using pymatgen
data_EuMgAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60863800
_cell_length_b 7.74894400
_cell_length_c 8.92239900
_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_EuMgAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60863800
_cell_length_b 7.74894400
_cell_length_c 8.92239900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,397 | 6,542 | mp-1087 | -2.395061 | 2.5619 | SrS | 0 | ['Sr', 'S'] | # generated using pymatgen
data_SrS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28751227
_cell_length_b 4.28751227
_cell_length_c 4.28751227
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrS... | 225 | 225 | # generated using pymatgen
data_SrS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.06345800
_cell_length_b 6.06345800
_cell_length_c 6.06345800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrS... |
24,398 | 25,815 | mp-1691 | -0.327171 | 0 | La2Ni3 | 0.009059 | ['La', 'Ni'] | # generated using pymatgen
data_La2Ni3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.44293638
_cell_length_b 5.44293638
_cell_length_c 7.90308200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 124.93790804
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 64 | 64 | # generated using pymatgen
data_La2Ni3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03176800
_cell_length_b 9.65316200
_cell_length_c 7.90308200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,399 | 13,499 | mp-9956 | -0.17328 | 0 | AlCr2C | 0 | ['Al', 'Cr', 'C'] | # generated using pymatgen
data_AlCr2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.84300427
_cell_length_b 2.84300427
_cell_length_c 12.70795600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000631
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_AlCr2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.84300427
_cell_length_b 2.84300427
_cell_length_c 12.70795600
_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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