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 |
|---|---|---|---|---|---|---|---|---|---|---|---|
22,700 | 23,106 | mp-1186689 | -0.24502 | 0 | Pr2MgAl | 0.004583 | ['Al', 'Mg', 'Pr'] | # generated using pymatgen
data_Pr2MgAl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40748739
_cell_length_b 5.40748739
_cell_length_c 5.40748739
_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_Pr2MgAl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.64734201
_cell_length_b 7.64734201
_cell_length_c 7.64734201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,701 | 28,456 | mp-8924 | -0.573432 | 0 | Ba2LiFe2N3 | 0.014259 | ['Ba', 'Fe', 'Li', 'N'] | # generated using pymatgen
data_Ba2LiFe2N3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.80630471
_cell_length_b 6.80630471
_cell_length_c 6.79779545
_cell_angle_alpha 89.15592796
_cell_angle_beta 89.15592796
_cell_angle_gamma 119.47094212
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 15 | 15 | # generated using pymatgen
data_Ba2LiFe2N3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.86066000
_cell_length_b 11.75731600
_cell_length_c 6.79779545
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.67494731
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
22,702 | 3,789 | mp-22384 | -0.994087 | 0 | DyInPt | 0 | ['Dy', 'In', 'Pt'] | # generated using pymatgen
data_DyInPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.69411831
_cell_length_b 7.69411831
_cell_length_c 3.86524000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000262
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_DyInPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.69411831
_cell_length_b 7.69411831
_cell_length_c 3.86524000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,703 | 12,365 | mp-569006 | -0.793675 | 0 | Sr(AsRh)2 | 0 | ['As', 'Rh', 'Sr'] | # generated using pymatgen
data_Sr(AsRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.67705844
_cell_length_b 6.67705844
_cell_length_c 6.67705844
_cell_angle_alpha 144.16504830
_cell_angle_beta 144.16504830
_cell_angle_gamma 51.58055881
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Sr(AsRh)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10835200
_cell_length_b 4.10835200
_cell_length_c 12.02394799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
22,704 | 40,753 | mp-1226497 | -3.463871 | 0 | CePrO4 | 0.056652 | ['Ce', 'O', 'Pr'] | # generated using pymatgen
data_CePrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.80721005
_cell_length_b 6.80721005
_cell_length_c 6.80720979
_cell_angle_alpha 33.88115081
_cell_angle_beta 33.88115081
_cell_angle_gamma 33.88115254
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_CePrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96696586
_cell_length_b 3.96696586
_cell_length_c 19.23102998
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,705 | 6,228 | mp-17118 | -0.721182 | 0 | Y3Ge5 | 0 | ['Ge', 'Y'] | # generated using pymatgen
data_Y3Ge5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.12045744
_cell_length_b 9.18651811
_cell_length_c 7.48837491
_cell_angle_alpha 82.98489274
_cell_angle_beta 55.07554627
_cell_angle_gamma 41.93956099
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 43 | 43 | # generated using pymatgen
data_Y3Ge5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79712000
_cell_length_b 13.80928800
_cell_length_c 17.43450199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,706 | 38,710 | mp-1221901 | -0.273277 | 0 | Mn2In2CuPd3 | 0.049387 | ['Cu', 'In', 'Mn', 'Pd'] | # generated using pymatgen
data_Mn2In2CuPd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.83467625
_cell_length_b 7.83467625
_cell_length_c 7.83467672
_cell_angle_alpha 33.33774720
_cell_angle_beta 33.33774720
_cell_angle_gamma 33.33775368
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 160 | 160 | # generated using pymatgen
data_Mn2In2CuPd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49459964
_cell_length_b 4.49459964
_cell_length_c 22.17735591
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
22,707 | 33,373 | mp-6036 | -1.471618 | 0 | CaCu3(RuO3)4 | 0.027269 | ['Ca', 'Cu', 'O', 'Ru'] | # generated using pymatgen
data_CaCu3(RuO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.49460336
_cell_length_b 6.49460336
_cell_length_c 6.49460336
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | 204 | 204 | # generated using pymatgen
data_CaCu3(RuO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.49932200
_cell_length_b 7.49932200
_cell_length_c 7.49932200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
22,708 | 44,600 | mp-1105944 | -1.57556 | 5.8193 | HS2N(O2F)2 | 0.076709 | ['F', 'H', 'N', 'O', 'S'] | # generated using pymatgen
data_HS2N(O2F)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.97841700
_cell_length_b 5.29680200
_cell_length_c 6.92635529
_cell_angle_alpha 79.63596661
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 4 | 4 | # generated using pymatgen
data_HS2N(O2F)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29680200
_cell_length_b 7.97841700
_cell_length_c 6.92635529
_cell_angle_alpha 90.00000000
_cell_angle_beta 100.36403339
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
22,709 | 32,188 | mp-1216981 | -2.179382 | 2.0298 | TiFeBiPbO6 | 0.02561 | ['Bi', 'Fe', 'O', 'Pb', 'Ti'] | # generated using pymatgen
data_TiFeBiPbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41642097
_cell_length_b 5.44248352
_cell_length_c 6.05501353
_cell_angle_alpha 63.29354782
_cell_angle_beta 63.43149117
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 44 | 44 | # generated using pymatgen
data_TiFeBiPbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41642097
_cell_length_b 5.44248352
_cell_length_c 9.36453400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
22,710 | 9,203 | mp-13182 | -2.715895 | 3.6062 | Li2TiGeO5 | 0 | ['Ge', 'Li', 'O', 'Ti'] | # generated using pymatgen
data_Li2TiGeO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.65929700
_cell_length_b 6.65929700
_cell_length_c 4.55250100
_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_Li2TiGeO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.65929700
_cell_length_b 6.65929700
_cell_length_c 4.55250100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
22,711 | 36,259 | mp-1227746 | -3.562852 | 2.212 | BaSr3Zr2Ti2O12 | 0.038626 | ['Ba', 'O', 'Sr', 'Ti', 'Zr'] | # generated using pymatgen
data_BaSr3Zr2Ti2O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.03140278
_cell_length_b 10.03140278
_cell_length_c 10.03140280
_cell_angle_alpha 33.46883168
_cell_angle_beta 33.46883168
_cell_angle_gamma 33.46883151
_symmetry_Int_Tables_number 1
_chemical_formula_st... | 160 | 160 | # generated using pymatgen
data_BaSr3Zr2Ti2O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.77680002
_cell_length_b 5.77680002
_cell_length_c 28.38216203
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_str... |
22,712 | 35,455 | mp-760242 | -2.828096 | 2.1246 | LiVOF4 | 0.035492 | ['F', 'Li', 'O', 'V'] | # generated using pymatgen
data_LiVOF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40186900
_cell_length_b 5.69685013
_cell_length_c 7.03443399
_cell_angle_alpha 104.48111898
_cell_angle_beta 96.25876046
_cell_angle_gamma 112.17030088
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 2 | 2 | # generated using pymatgen
data_LiVOF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40186900
_cell_length_b 5.69685013
_cell_length_c 7.03443399
_cell_angle_alpha 104.48111898
_cell_angle_beta 96.25876046
_cell_angle_gamma 112.17030088
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,713 | 36,629 | mp-1184995 | -0.12155 | 0 | La3Cd | 0.040731 | ['Cd', 'La'] | # generated using pymatgen
data_La3Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08167400
_cell_length_b 5.08167400
_cell_length_c 5.08167400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | 221 | 221 | # generated using pymatgen
data_La3Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08167400
_cell_length_b 5.08167400
_cell_length_c 5.08167400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... |
22,714 | 691 | mp-1006242 | -0.190083 | 0 | EuInNi5 | 0 | ['Eu', 'In', 'Ni'] | # generated using pymatgen
data_EuInNi5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.29146560
_cell_length_b 10.29146560
_cell_length_c 10.29146467
_cell_angle_alpha 27.49721243
_cell_angle_beta 27.49721243
_cell_angle_gamma 27.49721236
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 166 | 166 | # generated using pymatgen
data_EuInNi5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89178590
_cell_length_b 4.89178590
_cell_length_c 29.68904871
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
22,715 | 31,910 | mp-754336 | -2.029356 | 0 | Li2MnFeO4 | 0.023049 | ['Fe', 'Li', 'Mn', 'O'] | # generated using pymatgen
data_Li2MnFeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.22875839
_cell_length_b 5.22875839
_cell_length_c 5.22875839
_cell_angle_alpha 133.21610306
_cell_angle_beta 133.21610306
_cell_angle_gamma 68.31497442
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 119 | 119 | # generated using pymatgen
data_Li2MnFeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.15183200
_cell_length_b 4.15183200
_cell_length_c 8.65356801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
22,716 | 10,358 | mp-530 | -1.144213 | 0 | Nd4Sb3 | 0 | ['Nd', 'Sb'] | # generated using pymatgen
data_Nd4Sb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.24508146
_cell_length_b 8.24508146
_cell_length_c 8.24508146
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 220 | 220 | # generated using pymatgen
data_Nd4Sb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.52060000
_cell_length_b 9.52060000
_cell_length_c 9.52060000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,717 | 35,255 | mp-1225872 | -0.523904 | 0 | Er4NiSn8 | 0.034298 | ['Er', 'Ni', 'Sn'] | # generated using pymatgen
data_Er4NiSn8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39037500
_cell_length_b 4.38600600
_cell_length_c 16.91011600
_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_Er4NiSn8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.38600600
_cell_length_b 4.39037500
_cell_length_c 16.91011600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
22,718 | 18,664 | mp-12181 | -1.543922 | 1.9963 | BaSnS2 | 0 | ['Ba', 'S', 'Sn'] | # generated using pymatgen
data_BaSnS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.51821300
_cell_length_b 6.18913900
_cell_length_c 6.35582889
_cell_angle_alpha 85.27534390
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 14 | 14 | # generated using pymatgen
data_BaSnS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.18913900
_cell_length_b 12.51821300
_cell_length_c 6.35582889
_cell_angle_alpha 90.00000000
_cell_angle_beta 94.72465610
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,719 | 2,571 | mp-1104598 | -0.251531 | 0 | ErB12 | 0 | ['B', 'Er'] | # generated using pymatgen
data_ErB12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28895649
_cell_length_b 5.28895649
_cell_length_c 5.28895649
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | 225 | 225 | # generated using pymatgen
data_ErB12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.47971400
_cell_length_b 7.47971400
_cell_length_c 7.47971400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... |
22,720 | 14,403 | mp-643 | -4.36779 | 4.4644 | ThO2 | 0 | ['Th', 'O'] | # generated using pymatgen
data_ThO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97342534
_cell_length_b 3.97342534
_cell_length_c 3.97342534
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Th... | 225 | 225 | # generated using pymatgen
data_ThO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61927200
_cell_length_b 5.61927200
_cell_length_c 5.61927200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Th... |
22,721 | 34,775 | mp-1238967 | -2.546049 | 0.2597 | Rb3RuF6 | 0.033848 | ['F', 'Rb', 'Ru'] | # generated using pymatgen
data_Rb3RuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.99357900
_cell_length_b 7.09168910
_cell_length_c 7.17646625
_cell_angle_alpha 100.14255716
_cell_angle_beta 108.15781553
_cell_angle_gamma 100.12068668
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 2 | 2 | # generated using pymatgen
data_Rb3RuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.99357900
_cell_length_b 7.09168910
_cell_length_c 7.17646625
_cell_angle_alpha 100.14255716
_cell_angle_beta 108.15781553
_cell_angle_gamma 100.12068668
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
22,722 | 13,978 | mp-9672 | -0.46516 | 0.6446 | K2NiP2 | 0 | ['K', 'Ni', 'P'] | # generated using pymatgen
data_K2NiP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.62269558
_cell_length_b 7.62269558
_cell_length_c 5.61145700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 130.18088719
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_K2NiP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.42116200
_cell_length_b 13.82717000
_cell_length_c 5.61145700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,723 | 14,479 | mp-977421 | -0.795299 | 0 | TbGaRh2 | 0 | ['Tb', 'Ga', 'Rh'] | # generated using pymatgen
data_TbGaRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.58410962
_cell_length_b 4.58410962
_cell_length_c 4.58410962
_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_TbGaRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.48291000
_cell_length_b 6.48291000
_cell_length_c 6.48291000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,724 | 14,049 | mp-10873 | -0.705044 | 0 | ScAlAu2 | 0 | ['Sc', 'Al', 'Au'] | # generated using pymatgen
data_ScAlAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67248100
_cell_length_b 4.67248100
_cell_length_c 4.67248100
_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_ScAlAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.60788600
_cell_length_b 6.60788600
_cell_length_c 6.60788600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,725 | 44,954 | mp-775319 | -1.873852 | 0.7827 | Li2Mn3NiO8 | 0.076801 | ['Li', 'Mn', 'Ni', 'O'] | # generated using pymatgen
data_Li2Mn3NiO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.90283373
_cell_length_b 5.90283373
_cell_length_c 5.90283399
_cell_angle_alpha 59.09040896
_cell_angle_beta 59.09040896
_cell_angle_gamma 59.09041196
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 160 | 160 | # generated using pymatgen
data_Li2Mn3NiO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82149393
_cell_length_b 5.82149393
_cell_length_c 14.55752897
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
22,726 | 4,438 | mp-865442 | -0.583849 | 0 | TiAlOs2 | 0 | ['Ti', 'Al', 'Os'] | # generated using pymatgen
data_TiAlOs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32945643
_cell_length_b 4.32945643
_cell_length_c 4.32945643
_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_TiAlOs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.12277600
_cell_length_b 6.12277600
_cell_length_c 6.12277600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,727 | 8,956 | mp-865089 | -0.200861 | 0 | NaCeTl2 | 0 | ['Ce', 'Na', 'Tl'] | # generated using pymatgen
data_NaCeTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43371256
_cell_length_b 5.43371256
_cell_length_c 5.43371256
_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_NaCeTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.68443000
_cell_length_b 7.68443000
_cell_length_c 7.68443000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,728 | 23,401 | mp-574085 | -0.503981 | 0 | Dy5Sn13 | 0.004243 | ['Dy', 'Sn'] | # generated using pymatgen
data_Dy5Sn13
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 24.47762204
_cell_length_b 24.47762204
_cell_length_c 24.47762204
_cell_angle_alpha 169.69999698
_cell_angle_beta 169.50845291
_cell_angle_gamma 14.72277434
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 71 | 71 | # generated using pymatgen
data_Dy5Sn13
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39439400
_cell_length_b 4.47588800
_cell_length_c 48.55174200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,729 | 38,514 | mp-1039426 | -0.03469 | 0 | Mg3Cd | 0.048066 | ['Cd', 'Mg'] | # generated using pymatgen
data_Mg3Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03068773
_cell_length_b 6.03068773
_cell_length_c 6.03068773
_cell_angle_alpha 149.18021201
_cell_angle_beta 127.06058177
_cell_angle_gamma 62.51979536
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 44 | 44 | # generated using pymatgen
data_Mg3Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.20498000
_cell_length_b 5.37605200
_cell_length_c 10.31033200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,730 | 41,724 | mp-1224137 | -0.739952 | 0 | In5S8 | 0.062751 | ['In', 'S'] | # generated using pymatgen
data_In5S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.68162482
_cell_length_b 7.68162482
_cell_length_c 7.68162482
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural I... | 216 | 216 | # generated using pymatgen
data_In5S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.86345800
_cell_length_b 10.86345800
_cell_length_c 10.86345800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,731 | 5,310 | mp-2473 | -0.077434 | 0 | Re3As7 | 0 | ['As', 'Re'] | # generated using pymatgen
data_Re3As7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.67679732
_cell_length_b 7.67679732
_cell_length_c 7.67679732
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 229 | 229 | # generated using pymatgen
data_Re3As7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.86440200
_cell_length_b 8.86440200
_cell_length_c 8.86440200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,732 | 36,924 | mp-754936 | -3.720303 | 5.3028 | DyAlO3 | 0.040794 | ['Al', 'Dy', 'O'] | # generated using pymatgen
data_DyAlO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23705629
_cell_length_b 5.23705629
_cell_length_c 5.23705661
_cell_angle_alpha 60.91956114
_cell_angle_beta 60.91956114
_cell_angle_gamma 60.91956644
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 167 | 167 | # generated using pymatgen
data_DyAlO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30967787
_cell_length_b 5.30967787
_cell_length_c 12.73824169
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,733 | 8,751 | mp-19116 | -2.920082 | 2.5556 | Sr2CaMoO6 | 0 | ['Ca', 'Mo', 'O', 'Sr'] | # generated using pymatgen
data_Sr2CaMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.95549100
_cell_length_b 5.80884900
_cell_length_c 10.09765912
_cell_angle_alpha 55.05620848
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 14 | 14 | # generated using pymatgen
data_Sr2CaMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80884900
_cell_length_b 5.95549100
_cell_length_c 10.09765912
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.94379152
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
22,734 | 16,955 | mp-864644 | -0.41309 | 0 | AcCdHg2 | 0 | ['Ac', 'Cd', 'Hg'] | # generated using pymatgen
data_AcCdHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40649178
_cell_length_b 5.40649178
_cell_length_c 5.40649178
_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_AcCdHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.64593400
_cell_length_b 7.64593400
_cell_length_c 7.64593400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,735 | 12,315 | mp-33723 | -0.822038 | 1.297 | BiTeBr | 0 | ['Bi', 'Te', 'Br'] | # generated using pymatgen
data_BiTeBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35790077
_cell_length_b 4.35790077
_cell_length_c 6.91432700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001174
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 156 | 156 | # generated using pymatgen
data_BiTeBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35790077
_cell_length_b 4.35790077
_cell_length_c 6.91432700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,736 | 37,178 | mp-1214175 | -0.184994 | 0 | Bi7I2 | 0.042084 | ['Bi', 'I'] | # generated using pymatgen
data_Bi7I2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.47934100
_cell_length_b 11.35474900
_cell_length_c 13.58908259
_cell_angle_alpha 86.64836999
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 11 | 11 | # generated using pymatgen
data_Bi7I2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.35474900
_cell_length_b 4.47934100
_cell_length_c 13.58908259
_cell_angle_alpha 90.00000000
_cell_angle_beta 93.35163001
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,737 | 6,497 | mvc-15677 | -2.48073 | 0 | ZnBiF6 | 0 | ['Bi', 'F', 'Zn'] | # generated using pymatgen
data_ZnBiF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82567364
_cell_length_b 5.82567364
_cell_length_c 5.82567321
_cell_angle_alpha 57.91615578
_cell_angle_beta 57.91615578
_cell_angle_gamma 57.91616065
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 148 | 148 | # generated using pymatgen
data_ZnBiF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64122768
_cell_length_b 5.64122768
_cell_length_c 14.49054518
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,738 | 40,477 | mp-978257 | -0.015077 | 0 | MgSn3 | 0.055099 | ['Mg', 'Sn'] | # generated using pymatgen
data_MgSn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.60306745
_cell_length_b 6.60306745
_cell_length_c 5.55411800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999453
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_MgSn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.60306745
_cell_length_b 6.60306745
_cell_length_c 5.55411800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,739 | 12,004 | mp-1018673 | -0.602012 | 0 | CoPPd | 0 | ['Co', 'P', 'Pd'] | # generated using pymatgen
data_CoPPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.61907700
_cell_length_b 3.61907700
_cell_length_c 5.84205200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | 129 | 129 | # generated using pymatgen
data_CoPPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.61907700
_cell_length_b 3.61907700
_cell_length_c 5.84205200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... |
22,740 | 9,921 | mp-8622 | -1.073494 | 1.1346 | Rb2PtSe2 | 0 | ['Rb', 'Pt', 'Se'] | # generated using pymatgen
data_Rb2PtSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.72404072
_cell_length_b 6.72404072
_cell_length_c 6.72404072
_cell_angle_alpha 146.73219039
_cell_angle_beta 110.23436824
_cell_angle_gamma 79.51507786
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 71 | 71 | # generated using pymatgen
data_Rb2PtSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.84958600
_cell_length_b 7.69095600
_cell_length_c 10.33831600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
22,741 | 38,384 | mp-690515 | -1.385102 | 0.9851 | K2CoH2(SeO5)2 | 0.046745 | ['Co', 'H', 'K', 'O', 'Se'] | # generated using pymatgen
data_K2CoH2(SeO5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48360700
_cell_length_b 6.64174158
_cell_length_c 7.67151587
_cell_angle_alpha 108.57517117
_cell_angle_beta 95.51966458
_cell_angle_gamma 104.95740177
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | 2 | 2 | # generated using pymatgen
data_K2CoH2(SeO5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48360700
_cell_length_b 6.64174158
_cell_length_c 7.67151587
_cell_angle_alpha 108.57517117
_cell_angle_beta 95.51966458
_cell_angle_gamma 104.95740177
_symmetry_Int_Tables_number 1
_chemical_formula_stru... |
22,742 | 7,022 | mp-1077374 | -1.492615 | 0 | ThSiS | 0 | ['S', 'Si', 'Th'] | # generated using pymatgen
data_ThSiS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.03070457
_cell_length_b 9.03070457
_cell_length_c 9.03070457
_cell_angle_alpha 155.03101310
_cell_angle_beta 155.03101310
_cell_angle_gamma 35.60275014
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_ThSiS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90443200
_cell_length_b 3.90443200
_cell_length_c 17.19666600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,743 | 32,465 | mp-972899 | -0.805336 | 0 | Sc2GaIr | 0.025149 | ['Sc', 'Ga', 'Ir'] | # generated using pymatgen
data_Sc2GaIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65869383
_cell_length_b 4.65869383
_cell_length_c 4.65869383
_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_Sc2GaIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.58838800
_cell_length_b 6.58838800
_cell_length_c 6.58838800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,744 | 36,391 | mp-754746 | -2.807204 | 0.892 | VOF | 0.038479 | ['F', 'O', 'V'] | # generated using pymatgen
data_VOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.10144600
_cell_length_b 4.75446400
_cell_length_c 14.20651076
_cell_angle_alpha 88.25387240
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VO... | 10 | 10 | # generated using pymatgen
data_VOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.75446400
_cell_length_b 3.10144600
_cell_length_c 14.20651076
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.74612760
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VO... |
22,745 | 840 | mp-1105833 | -0.592274 | 0 | Hf4Co7Ge6 | 0 | ['Co', 'Ge', 'Hf'] | # generated using pymatgen
data_Hf4Co7Ge6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.78372421
_cell_length_b 6.78372421
_cell_length_c 6.78372421
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 229 | 229 | # generated using pymatgen
data_Hf4Co7Ge6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.83317000
_cell_length_b 7.83317000
_cell_length_c 7.83317000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
22,746 | 26,616 | mp-1185762 | -0.304441 | 0 | Mg2CdRh | 0.01136 | ['Cd', 'Mg', 'Rh'] | # generated using pymatgen
data_Mg2CdRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.63539042
_cell_length_b 4.63539042
_cell_length_c 4.63539042
_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_Mg2CdRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.55543200
_cell_length_b 6.55543200
_cell_length_c 6.55543200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,747 | 11,783 | mp-2775 | -0.232307 | 0 | SrAl4 | 0 | ['Sr', 'Al'] | # generated using pymatgen
data_SrAl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44916150
_cell_length_b 6.44916150
_cell_length_c 6.44916150
_cell_angle_alpha 139.50090528
_cell_angle_beta 139.50090528
_cell_angle_gamma 58.61189258
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_SrAl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46423400
_cell_length_b 4.46423400
_cell_length_c 11.24757600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,748 | 16,949 | mp-862838 | -0.292862 | 0 | PmAlCu2 | 0 | ['Pm', 'Al', 'Cu'] | # generated using pymatgen
data_PmAlCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.63731375
_cell_length_b 4.63731375
_cell_length_c 4.63731375
_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_PmAlCu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.55815200
_cell_length_b 6.55815200
_cell_length_c 6.55815200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,749 | 36,439 | mp-763211 | -2.56746 | 0.237 | V3O5F | 0.039518 | ['F', 'O', 'V'] | # generated using pymatgen
data_V3O5F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69112000
_cell_length_b 5.55330635
_cell_length_c 7.50442225
_cell_angle_alpha 96.10259640
_cell_angle_beta 90.26773526
_cell_angle_gamma 90.29246910
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | 1 | 1 | # generated using pymatgen
data_V3O5F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69112000
_cell_length_b 5.55330635
_cell_length_c 7.50442225
_cell_angle_alpha 96.10259640
_cell_angle_beta 90.26773526
_cell_angle_gamma 90.29246910
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... |
22,750 | 23,637 | mp-1205400 | -1.53574 | 0.6663 | Ba2NdInTe5 | 0.005731 | ['Ba', 'In', 'Nd', 'Te'] | # generated using pymatgen
data_Ba2NdInTe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.59040576
_cell_length_b 10.59040576
_cell_length_c 14.39691300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 154.72375158
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | 36 | 36 | # generated using pymatgen
data_Ba2NdInTe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.63420400
_cell_length_b 20.66763000
_cell_length_c 14.39691300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
22,751 | 5,995 | mp-989551 | -2.596917 | 4.0416 | LiTl2InF6 | 0 | ['Li', 'Tl', 'In', 'F'] | # generated using pymatgen
data_LiTl2InF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.05849797
_cell_length_b 6.05849797
_cell_length_c 6.05849797
_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_LiTl2InF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.56801000
_cell_length_b 8.56801000
_cell_length_c 8.56801000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
22,752 | 10,665 | mp-1221125 | -0.993683 | 1.4759 | NaBiS2 | 0 | ['Bi', 'Na', 'S'] | # generated using pymatgen
data_NaBiS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19382894
_cell_length_b 7.19382894
_cell_length_c 7.19382897
_cell_angle_alpha 32.85167838
_cell_angle_beta 32.85167838
_cell_angle_gamma 32.85167497
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_NaBiS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06845621
_cell_length_b 4.06845621
_cell_length_c 20.39861675
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,753 | 34,405 | mp-752799 | -2.531974 | 3.0614 | Li2FeSiO4 | 0.031295 | ['Fe', 'Li', 'O', 'Si'] | # generated using pymatgen
data_Li2FeSiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01487500
_cell_length_b 5.42283069
_cell_length_c 6.33575071
_cell_angle_alpha 90.01093688
_cell_angle_beta 90.52133249
_cell_angle_gamma 91.13325137
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 1 | 1 | # generated using pymatgen
data_Li2FeSiO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01487500
_cell_length_b 5.42283069
_cell_length_c 6.33575071
_cell_angle_alpha 90.01093688
_cell_angle_beta 90.52133249
_cell_angle_gamma 91.13325137
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
22,754 | 14,889 | mp-569107 | -1.295416 | 1.3866 | CsErZnTe3 | 0 | ['Cs', 'Er', 'Te', 'Zn'] | # generated using pymatgen
data_CsErZnTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.83665725
_cell_length_b 8.83665725
_cell_length_c 11.69019000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 151.05537270
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 63 | 63 | # generated using pymatgen
data_CsErZnTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41677600
_cell_length_b 17.11251399
_cell_length_c 11.69019000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
22,755 | 44,428 | mp-759839 | -3.075374 | 1.9326 | Li2VF6 | 0.075726 | ['F', 'Li', 'V'] | # generated using pymatgen
data_Li2VF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80893364
_cell_length_b 5.80893364
_cell_length_c 4.87355900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999593
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_Li2VF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80893364
_cell_length_b 5.80893364
_cell_length_c 4.87355900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,756 | 5,901 | mp-616507 | -1.51432 | 0 | Cs2Na2IrO4 | 0 | ['Cs', 'Ir', 'Na', 'O'] | # generated using pymatgen
data_Cs2Na2IrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.75490583
_cell_length_b 6.75490583
_cell_length_c 9.76526882
_cell_angle_alpha 77.51626856
_cell_angle_beta 77.51626856
_cell_angle_gamma 53.03121834
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 12 | 12 | # generated using pymatgen
data_Cs2Na2IrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.08875199
_cell_length_b 6.03134200
_cell_length_c 9.76526882
_cell_angle_alpha 90.00000000
_cell_angle_beta 103.97938488
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
22,757 | 17,446 | mp-864797 | -1.489498 | 0 | NdCrSe3 | 0 | ['Cr', 'Nd', 'Se'] | # generated using pymatgen
data_NdCrSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96878700
_cell_length_b 8.14227600
_cell_length_c 13.73027200
_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_NdCrSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96878700
_cell_length_b 8.14227600
_cell_length_c 13.73027200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,758 | 12,448 | mp-864932 | -0.576187 | 0 | Mg2AgPt | 0 | ['Mg', 'Ag', 'Pt'] | # generated using pymatgen
data_Mg2AgPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59032226
_cell_length_b 4.59032226
_cell_length_c 4.59032226
_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_Mg2AgPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.49169600
_cell_length_b 6.49169600
_cell_length_c 6.49169600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,759 | 30,970 | mp-977113 | -0.437171 | 0 | MgPdAu2 | 0.020875 | ['Mg', 'Pd', 'Au'] | # generated using pymatgen
data_MgPdAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60960506
_cell_length_b 4.60960506
_cell_length_c 4.60960506
_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_MgPdAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.51896599
_cell_length_b 6.51896599
_cell_length_c 6.51896599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,760 | 663 | mp-30846 | -0.503025 | 0 | Sn3Pt2 | 0 | ['Sn', 'Pt'] | # generated using pymatgen
data_Sn3Pt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41405186
_cell_length_b 4.41405186
_cell_length_c 13.21001900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999785
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_Sn3Pt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41405186
_cell_length_b 4.41405186
_cell_length_c 13.21001900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,761 | 29,188 | mp-1216885 | -0.404444 | 0 | U2NiGe2Pd | 0.017018 | ['Ge', 'Ni', 'Pd', 'U'] | # generated using pymatgen
data_U2NiGe2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41711000
_cell_length_b 6.73304100
_cell_length_c 7.50476600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 26 | 26 | # generated using pymatgen
data_U2NiGe2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41711000
_cell_length_b 6.73304100
_cell_length_c 7.50476600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
22,762 | 4,145 | mp-1206326 | -0.588865 | 0 | ErAlSi | 0 | ['Al', 'Er', 'Si'] | # generated using pymatgen
data_ErAlSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48708717
_cell_length_b 5.48708717
_cell_length_c 5.64687100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 137.22430723
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_ErAlSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00205400
_cell_length_b 10.21841799
_cell_length_c 5.64687100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,763 | 25,702 | mp-1217023 | -0.782351 | 0 | TiB2W | 0.009398 | ['B', 'Ti', 'W'] | # generated using pymatgen
data_TiB2W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50441837
_cell_length_b 4.50441837
_cell_length_c 3.08531500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 138.57069770
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 38 | 38 | # generated using pymatgen
data_TiB2W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.18655200
_cell_length_b 8.42644799
_cell_length_c 3.08531500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... |
22,764 | 21,559 | mp-1104494 | -0.294017 | 0 | Lu(Fe2Ge)2 | 0.002267 | ['Fe', 'Ge', 'Lu'] | # generated using pymatgen
data_Lu(Fe2Ge)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.17592800
_cell_length_b 7.17592800
_cell_length_c 3.85787100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 136 | 136 | # generated using pymatgen
data_Lu(Fe2Ge)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.17592800
_cell_length_b 7.17592800
_cell_length_c 3.85787100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
22,765 | 11,839 | mp-505598 | -0.805743 | 0 | Zr(Ni2P)2 | 0 | ['Ni', 'P', 'Zr'] | # generated using pymatgen
data_Zr(Ni2P)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.92840400
_cell_length_b 6.92840400
_cell_length_c 3.58317700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 136 | 136 | # generated using pymatgen
data_Zr(Ni2P)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.92840400
_cell_length_b 6.92840400
_cell_length_c 3.58317700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
22,766 | 40,141 | mp-1209166 | -1.487926 | 0.2584 | RbTmI3 | 0.055258 | ['I', 'Rb', 'Tm'] | # generated using pymatgen
data_RbTmI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32160100
_cell_length_b 10.24571300
_cell_length_c 17.96622500
_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_RbTmI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32160100
_cell_length_b 10.24571300
_cell_length_c 17.96622500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,767 | 4,558 | mp-1095425 | -1.005346 | 0 | LiEuSb | 0 | ['Eu', 'Li', 'Sb'] | # generated using pymatgen
data_LiEuSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80148900
_cell_length_b 7.89574900
_cell_length_c 8.38609500
_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_LiEuSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80148900
_cell_length_b 7.89574900
_cell_length_c 8.38609500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,768 | 43,015 | mp-1029779 | -0.304734 | 1.524 | ZnGeN2 | 0.068589 | ['Zn', 'Ge', 'N'] | # generated using pymatgen
data_ZnGeN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.44915000
_cell_length_b 5.52410200
_cell_length_c 5.54989909
_cell_angle_alpha 88.69745363
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 14 | 14 | # generated using pymatgen
data_ZnGeN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52410200
_cell_length_b 6.44915000
_cell_length_c 5.54989909
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.30254637
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,769 | 38,668 | mp-1215769 | -2.169301 | 0 | YbEu(FeO2)4 | 0.048825 | ['Eu', 'Fe', 'O', 'Yb'] | # generated using pymatgen
data_YbEu(FeO2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.52450200
_cell_length_b 6.08159900
_cell_length_c 8.76603303
_cell_angle_alpha 76.69519512
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 10 | 10 | # generated using pymatgen
data_YbEu(FeO2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08159900
_cell_length_b 3.52450200
_cell_length_c 8.76603303
_cell_angle_alpha 90.00000000
_cell_angle_beta 103.30480488
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
22,770 | 5,165 | mp-1211458 | -1.071506 | 0 | LaSbRh | 0 | ['La', 'Rh', 'Sb'] | # generated using pymatgen
data_LaSbRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70029500
_cell_length_b 7.61511200
_cell_length_c 7.99059900
_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_LaSbRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70029500
_cell_length_b 7.61511200
_cell_length_c 7.99059900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,771 | 11,693 | mp-1225549 | -0.38488 | 0 | LaAl2Cu3 | 0 | ['Al', 'Cu', 'La'] | # generated using pymatgen
data_LaAl2Cu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.25790720
_cell_length_b 5.25790720
_cell_length_c 4.21176400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 118.55427698
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 65 | 65 | # generated using pymatgen
data_LaAl2Cu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37238200
_cell_length_b 9.03990399
_cell_length_c 4.21176400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,772 | 10,650 | mp-1216599 | -0.427579 | 0 | UCuSi2Ni | 0 | ['Cu', 'Ni', 'Si', 'U'] | # generated using pymatgen
data_UCuSi2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61080368
_cell_length_b 5.61080368
_cell_length_c 5.61080368
_cell_angle_alpha 138.75239745
_cell_angle_beta 138.75239745
_cell_angle_gamma 59.75259899
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 119 | 119 | # generated using pymatgen
data_UCuSi2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.95259200
_cell_length_b 3.95259200
_cell_length_c 9.73028801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,773 | 11,572 | mp-1104960 | -0.592438 | 0 | Sc3(CuSi)4 | 0 | ['Cu', 'Sc', 'Si'] | # generated using pymatgen
data_Sc3(CuSi)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.56879502
_cell_length_b 7.56879502
_cell_length_c 7.56879502
_cell_angle_alpha 149.65534896
_cell_angle_beta 129.76740418
_cell_angle_gamma 59.82289009
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 71 | 71 | # generated using pymatgen
data_Sc3(CuSi)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96185600
_cell_length_b 6.42525600
_cell_length_c 13.12122001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
22,774 | 33,748 | mp-1223823 | -0.330141 | 0 | Hf2Cr3Si | 0.029889 | ['Cr', 'Hf', 'Si'] | # generated using pymatgen
data_Hf2Cr3Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99101407
_cell_length_b 4.99101407
_cell_length_c 8.26909800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000098
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 194 | 194 | # generated using pymatgen
data_Hf2Cr3Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99101407
_cell_length_b 4.99101407
_cell_length_c 8.26909800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
22,775 | 12,643 | mp-1207497 | -3.778526 | 1.1181 | YbZrF7 | 0 | ['F', 'Yb', 'Zr'] | # generated using pymatgen
data_YbZrF7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.07150600
_cell_length_b 6.05469829
_cell_length_c 8.16004840
_cell_angle_alpha 99.60963076
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 4 | 4 | # generated using pymatgen
data_YbZrF7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.05469829
_cell_length_b 6.07150600
_cell_length_c 8.16004840
_cell_angle_alpha 90.00000000
_cell_angle_beta 99.60963076
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,776 | 20,612 | mp-1188534 | -0.342014 | 0 | ScCrC2 | 0.000602 | ['C', 'Cr', 'Sc'] | # generated using pymatgen
data_ScCrC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.24632000
_cell_length_b 5.66094800
_cell_length_c 9.03725200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 59 | 59 | # generated using pymatgen
data_ScCrC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.24632000
_cell_length_b 5.66094800
_cell_length_c 9.03725200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,777 | 601 | mp-4743 | -0.696412 | 0 | ErTiGe | 0 | ['Er', 'Ge', 'Ti'] | # generated using pymatgen
data_ErTiGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03925100
_cell_length_b 4.03925100
_cell_length_c 7.61419500
_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_ErTiGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03925100
_cell_length_b 4.03925100
_cell_length_c 7.61419500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,778 | 27,027 | mp-1080226 | -1.445662 | 0 | CsTlBr3 | 0.01193 | ['Br', 'Cs', 'Tl'] | # generated using pymatgen
data_CsTlBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.86863132
_cell_length_b 5.86863132
_cell_length_c 5.86729503
_cell_angle_alpha 89.99558767
_cell_angle_beta 89.99558767
_cell_angle_gamma 90.00080081
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 8 | 8 | # generated using pymatgen
data_CsTlBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.29944001
_cell_length_b 8.29955601
_cell_length_c 5.86729503
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00624002
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,779 | 16,861 | mp-40630 | -2.742862 | 0 | CaPrMn2O6 | 0 | ['Ca', 'Mn', 'O', 'Pr'] | # generated using pymatgen
data_CaPrMn2O6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45382800
_cell_length_b 5.50013800
_cell_length_c 7.72145000
_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_CaPrMn2O6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45382800
_cell_length_b 5.50013800
_cell_length_c 7.72145000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
22,780 | 25,589 | mp-1181552 | -2.348655 | 1.0151 | CsNi2F6 | 0.009319 | ['Cs', 'F', 'Ni'] | # generated using pymatgen
data_CsNi2F6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.26618241
_cell_length_b 7.26618241
_cell_length_c 7.26618241
_cell_angle_alpha 120.58665633
_cell_angle_beta 117.93790627
_cell_angle_gamma 91.29755409
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 74 | 74 | # generated using pymatgen
data_CsNi2F6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.20165600
_cell_length_b 7.49147000
_cell_length_c 10.15892000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,781 | 37,109 | mp-1181655 | -0.246457 | 0.7296 | Cs3Sn4Au | 0.042303 | ['Au', 'Cs', 'Sn'] | # generated using pymatgen
data_Cs3Sn4Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.74943400
_cell_length_b 7.55143400
_cell_length_c 15.55288500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 59 | 59 | # generated using pymatgen
data_Cs3Sn4Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.74943400
_cell_length_b 7.55143400
_cell_length_c 15.55288500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
22,782 | 42,315 | mp-2164 | -0.965096 | 0 | Mo3S4 | 0.064811 | ['Mo', 'S'] | # generated using pymatgen
data_Mo3S4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.49357983
_cell_length_b 6.49357983
_cell_length_c 6.49357997
_cell_angle_alpha 91.32476057
_cell_angle_beta 91.32476057
_cell_angle_gamma 91.32475724
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | 148 | 148 | # generated using pymatgen
data_Mo3S4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.28885818
_cell_length_b 9.28885818
_cell_length_c 10.98410462
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,783 | 39,734 | mp-1226100 | -0.471202 | 0 | CoCu2SnSe4 | 0.053684 | ['Co', 'Cu', 'Se', 'Sn'] | # generated using pymatgen
data_CoCu2SnSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.99467169
_cell_length_b 6.99467169
_cell_length_c 6.99467169
_cell_angle_alpha 131.82883054
_cell_angle_beta 131.82883054
_cell_angle_gamma 70.49950515
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 82 | 82 | # generated using pymatgen
data_CoCu2SnSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.70906200
_cell_length_b 5.70906200
_cell_length_c 11.42431400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
22,784 | 835 | mp-1087540 | -0.386419 | 0.532 | CdCu2SiTe4 | 0 | ['Cd', 'Cu', 'Si', 'Te'] | # generated using pymatgen
data_CdCu2SiTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.43453554
_cell_length_b 7.43453554
_cell_length_c 7.43453554
_cell_angle_alpha 130.97671949
_cell_angle_beta 130.97671949
_cell_angle_gamma 71.85006950
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 121 | 121 | # generated using pymatgen
data_CdCu2SiTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.16885200
_cell_length_b 6.16885200
_cell_length_c 12.04075599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
22,785 | 6,972 | mp-9712 | -2.495695 | 1.4707 | Ba3BPO3 | 0 | ['B', 'Ba', 'O', 'P'] | # generated using pymatgen
data_Ba3BPO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57506755
_cell_length_b 5.57506755
_cell_length_c 13.70876000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999470
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 194 | 194 | # generated using pymatgen
data_Ba3BPO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57506755
_cell_length_b 5.57506755
_cell_length_c 13.70876000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
22,786 | 27,162 | mp-1216055 | -0.21762 | 0 | YbEu(InCu4)2 | 0.012491 | ['Cu', 'Eu', 'In', 'Yb'] | # generated using pymatgen
data_YbEu(InCu4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13327845
_cell_length_b 5.13327845
_cell_length_c 8.84097335
_cell_angle_alpha 73.12337855
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 160 | 160 | # generated using pymatgen
data_YbEu(InCu4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13327845
_cell_length_b 5.13327845
_cell_length_c 24.98827102
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... |
22,787 | 1,575 | mp-1104660 | -1.148015 | 0 | Bi(PdO2)2 | 0 | ['Bi', 'O', 'Pd'] | # generated using pymatgen
data_Bi(PdO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78916825
_cell_length_b 6.17570507
_cell_length_c 6.51858510
_cell_angle_alpha 114.88916922
_cell_angle_beta 95.76740967
_cell_angle_gamma 111.71153415
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 2 | 2 | # generated using pymatgen
data_Bi(PdO2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78916825
_cell_length_b 6.17570507
_cell_length_c 6.79882794
_cell_angle_alpha 100.94315992
_cell_angle_beta 114.77891533
_cell_angle_gamma 111.71153415
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
22,788 | 43,330 | mp-627119 | -1.917575 | 0.6588 | VHO3 | 0.06923 | ['H', 'O', 'V'] | # generated using pymatgen
data_VHO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63413400
_cell_length_b 6.17562233
_cell_length_c 12.14103132
_cell_angle_alpha 93.53318591
_cell_angle_beta 90.02793286
_cell_angle_gamma 106.41795830
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 1 | 1 | # generated using pymatgen
data_VHO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63413400
_cell_length_b 6.17562233
_cell_length_c 12.14103132
_cell_angle_alpha 93.53318591
_cell_angle_beta 90.02793286
_cell_angle_gamma 106.41795830
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,789 | 21,164 | mp-1216683 | -0.328638 | 0.0788 | TiSb4Mo | 0.001341 | ['Mo', 'Sb', 'Ti'] | # generated using pymatgen
data_TiSb4Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63818700
_cell_length_b 5.44410345
_cell_length_c 7.46882774
_cell_angle_alpha 87.60669660
_cell_angle_beta 75.90336598
_cell_angle_gamma 109.52025332
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 8 | 8 | # generated using pymatgen
data_TiSb4Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.26239018
_cell_length_b 3.63818700
_cell_length_c 8.29393341
_cell_angle_alpha 90.00000000
_cell_angle_beta 120.06719272
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
22,790 | 11,747 | mp-20325 | -0.544741 | 0 | Ti3InC | 0 | ['Ti', 'In', 'C'] | # generated using pymatgen
data_Ti3InC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24818400
_cell_length_b 4.24818400
_cell_length_c 4.24818400
_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_Ti3InC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24818400
_cell_length_b 4.24818400
_cell_length_c 4.24818400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,791 | 13,168 | mp-1215511 | -0.550511 | 0 | YbGa3Au | 0 | ['Au', 'Ga', 'Yb'] | # generated using pymatgen
data_YbGa3Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10558100
_cell_length_b 4.10558100
_cell_length_c 6.59765947
_cell_angle_alpha 71.87210710
_cell_angle_beta 71.87210710
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 107 | 107 | # generated using pymatgen
data_YbGa3Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10558100
_cell_length_b 4.10558100
_cell_length_c 11.84925600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,792 | 3,483 | mp-972205 | -0.309016 | 0 | V2MoOs | 0 | ['V', 'Mo', 'Os'] | # generated using pymatgen
data_V2MoOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30518004
_cell_length_b 4.30518004
_cell_length_c 4.30518004
_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_V2MoOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08844400
_cell_length_b 6.08844400
_cell_length_c 6.08844400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,793 | 32,579 | mp-1114590 | -1.679984 | 0.0116 | Rb2NaInBr6 | 0.02698 | ['Br', 'In', 'Na', 'Rb'] | # generated using pymatgen
data_Rb2NaInBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.95349465
_cell_length_b 7.95349465
_cell_length_c 7.95349465
_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_Rb2NaInBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.24794000
_cell_length_b 11.24794000
_cell_length_c 11.24794000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
22,794 | 34,036 | mp-1094697 | -0.06593 | 0 | Mg2Cd | 0.031173 | ['Cd', 'Mg'] | # generated using pymatgen
data_Mg2Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.44280677
_cell_length_b 5.44280677
_cell_length_c 5.14332900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.30548282
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_Mg2Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41765600
_cell_length_b 9.44169400
_cell_length_c 5.14332900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... |
22,795 | 44,268 | mp-1247277 | -0.334614 | 0 | Mn3FeN3 | 0.075251 | ['Fe', 'Mn', 'N'] | # generated using pymatgen
data_Mn3FeN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.62719411
_cell_length_b 6.62067515
_cell_length_c 3.94745800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.15930029
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_Mn3FeN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.62393463
_cell_length_b 6.62393463
_cell_length_c 3.94745800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,796 | 44,066 | mp-1103986 | -2.199338 | 0 | BaLuFe4O7 | 0.073455 | ['Ba', 'Fe', 'Lu', 'O'] | # generated using pymatgen
data_BaLuFe4O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.39561983
_cell_length_b 6.39561983
_cell_length_c 6.39561983
_cell_angle_alpha 119.79919264
_cell_angle_beta 119.79919264
_cell_angle_gamma 90.34816186
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 82 | 82 | # generated using pymatgen
data_BaLuFe4O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41502200
_cell_length_b 6.41502200
_cell_length_c 9.01725000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
22,797 | 8,081 | mp-11256 | -0.8081 | 0 | ScAu | 0 | ['Sc', 'Au'] | # generated using pymatgen
data_ScAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.41358200
_cell_length_b 3.41358200
_cell_length_c 3.41358200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc... | 221 | 221 | # generated using pymatgen
data_ScAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.41358200
_cell_length_b 3.41358200
_cell_length_c 3.41358200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc... |
22,798 | 38,884 | mp-752806 | -2.725213 | 0 | Mn3OF5 | 0.049362 | ['F', 'Mn', 'O'] | # generated using pymatgen
data_Mn3OF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88648358
_cell_length_b 5.88648358
_cell_length_c 7.50540006
_cell_angle_alpha 73.67955308
_cell_angle_beta 73.67955308
_cell_angle_gamma 73.85887820
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 8 | 8 | # generated using pymatgen
data_Mn3OF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.41102800
_cell_length_b 7.07356400
_cell_length_c 7.50540006
_cell_angle_alpha 90.00000000
_cell_angle_beta 110.58127366
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
22,799 | 21,758 | mp-1226153 | -1.664613 | 3.447 | Cs3H(SeO4)2 | 0.00206 | ['Cs', 'H', 'O', 'Se'] | # generated using pymatgen
data_Cs3H(SeO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.45328747
_cell_length_b 6.45328747
_cell_length_c 8.67163349
_cell_angle_alpha 71.17166524
_cell_angle_beta 71.17166524
_cell_angle_gamma 60.76503820
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 8 | 8 | # generated using pymatgen
data_Cs3H(SeO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.13408944
_cell_length_b 6.52776600
_cell_length_c 8.67163349
_cell_angle_alpha 90.00000000
_cell_angle_beta 111.96939301
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
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