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 |
|---|---|---|---|---|---|---|---|---|---|---|---|
24,600 | 43,759 | mp-1279310 | -1.664768 | 0.1634 | Li3(FeO3)2 | 0.071443 | ['Fe', 'Li', 'O'] | # generated using pymatgen
data_Li3(FeO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11561264
_cell_length_b 5.03088199
_cell_length_c 5.07103492
_cell_angle_alpha 100.74811157
_cell_angle_beta 98.94855314
_cell_angle_gamma 120.13407068
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 1 | 1 | # generated using pymatgen
data_Li3(FeO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03088199
_cell_length_b 5.06349546
_cell_length_c 5.07103492
_cell_angle_alpha 69.97445726
_cell_angle_beta 79.25188843
_cell_angle_gamma 60.89794071
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,601 | 36,182 | mp-1217255 | -0.282288 | 0 | Ti13Sb3 | 0.038545 | ['Sb', 'Ti'] | # generated using pymatgen
data_Ti13Sb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74834900
_cell_length_b 5.82888300
_cell_length_c 10.16479400
_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_Ti13Sb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74834900
_cell_length_b 5.82888300
_cell_length_c 10.16479400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,602 | 26,383 | mp-570545 | -0.280127 | 4.1841 | Cs2ZnFe(CN)6 | 0.010072 | ['C', 'Cs', 'Fe', 'N', 'Zn'] | # generated using pymatgen
data_Cs2ZnFe(CN)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.39086958
_cell_length_b 7.39086958
_cell_length_c 7.39086958
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 225 | 225 | # generated using pymatgen
data_Cs2ZnFe(CN)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.45226800
_cell_length_b 10.45226800
_cell_length_c 10.45226800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_stru... |
24,603 | 38,880 | mp-752492 | -2.483473 | 0 | Mn4O3F5 | 0.048916 | ['F', 'Mn', 'O'] | # generated using pymatgen
data_Mn4O3F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76209456
_cell_length_b 5.76209456
_cell_length_c 5.76209456
_cell_angle_alpha 114.27768555
_cell_angle_beta 112.08054267
_cell_angle_gamma 102.29417368
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 44 | 44 | # generated using pymatgen
data_Mn4O3F5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.25308400
_cell_length_b 6.43752800
_cell_length_c 7.22939200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,604 | 41,854 | mp-676121 | -0.259768 | 0.3742 | Ag3SI | 0.062045 | ['Ag', 'I', 'S'] | # generated using pymatgen
data_Ag3SI
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31969000
_cell_length_b 4.73214816
_cell_length_c 13.27867368
_cell_angle_alpha 89.65796526
_cell_angle_beta 87.07948282
_cell_angle_gamma 89.88724023
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 1 | 1 | # generated using pymatgen
data_Ag3SI
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31969000
_cell_length_b 4.73214816
_cell_length_c 13.27867368
_cell_angle_alpha 89.65796526
_cell_angle_beta 87.07948282
_cell_angle_gamma 89.88724023
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,605 | 10,109 | mp-1185970 | -0.016073 | 0 | Mn3Co | 0 | ['Co', 'Mn'] | # generated using pymatgen
data_Mn3Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97426761
_cell_length_b 4.97426761
_cell_length_c 3.95330800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999478
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_Mn3Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97426761
_cell_length_b 4.97426761
_cell_length_c 3.95330800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,606 | 19,901 | mp-777295 | -3.248742 | 2.677 | TmCrO3 | 0 | ['Cr', 'O', 'Tm'] | # generated using pymatgen
data_TmCrO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24554700
_cell_length_b 5.56617900
_cell_length_c 7.59400800
_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_TmCrO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24554700
_cell_length_b 5.56617900
_cell_length_c 7.59400800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,607 | 39,298 | mp-1519036 | -3.061565 | 3.4626 | Sr2DySbO6 | 0.050393 | ['Dy', 'O', 'Sb', 'Sr'] | # generated using pymatgen
data_Sr2DySbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93454164
_cell_length_b 5.93454164
_cell_length_c 5.93454164
_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_Sr2DySbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.39270927
_cell_length_b 8.39270927
_cell_length_c 8.39270927
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,608 | 9,097 | mp-11504 | -0.031061 | 0 | MnZn3 | 0 | ['Mn', 'Zn'] | # generated using pymatgen
data_MnZn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82529600
_cell_length_b 3.82529600
_cell_length_c 3.82529600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | 221 | 221 | # generated using pymatgen
data_MnZn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82529600
_cell_length_b 3.82529600
_cell_length_c 3.82529600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... |
24,609 | 39,184 | mp-1217742 | -0.524492 | 0 | Tb3U(CoGe)8 | 0.050215 | ['Co', 'Ge', 'Tb', 'U'] | # generated using pymatgen
data_Tb3U(CoGe)8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99339600
_cell_length_b 3.99339600
_cell_length_c 20.12633400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 123 | 123 | # generated using pymatgen
data_Tb3U(CoGe)8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99339600
_cell_length_b 3.99339600
_cell_length_c 20.12633400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,610 | 43,873 | mp-754700 | -2.317689 | 1.0785 | Li4V3FeO10 | 0.071632 | ['Fe', 'Li', 'O', 'V'] | # generated using pymatgen
data_Li4V3FeO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.69595400
_cell_length_b 6.69595400
_cell_length_c 4.65389700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 115 | 115 | # generated using pymatgen
data_Li4V3FeO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.69595400
_cell_length_b 6.69595400
_cell_length_c 4.65389700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,611 | 13,142 | mp-1205521 | -1.917492 | 3.7386 | CaTlBr3 | 0 | ['Br', 'Ca', 'Tl'] | # generated using pymatgen
data_CaTlBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.57100891
_cell_length_b 7.57100891
_cell_length_c 10.92747500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 146.84714442
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 63 | 63 | # generated using pymatgen
data_CaTlBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31992800
_cell_length_b 14.51271600
_cell_length_c 10.92747500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,612 | 8,976 | mp-8697 | -3.436941 | 4.1741 | ScBO3 | 0 | ['Sc', 'B', 'O'] | # generated using pymatgen
data_ScBO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.85526881
_cell_length_b 5.85526881
_cell_length_c 5.85526834
_cell_angle_alpha 48.40924406
_cell_angle_beta 48.40924406
_cell_angle_gamma 48.40923588
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | 167 | 167 | # generated using pymatgen
data_ScBO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80128028
_cell_length_b 4.80128028
_cell_length_c 15.47257765
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,613 | 16,458 | mp-865855 | -0.555161 | 0 | Ac2SiPd | 0 | ['Ac', 'Si', 'Pd'] | # generated using pymatgen
data_Ac2SiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.43243270
_cell_length_b 5.43243270
_cell_length_c 5.43243270
_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_Ac2SiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.68262000
_cell_length_b 7.68262000
_cell_length_c 7.68262000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,614 | 3,712 | mp-12453 | -1.624137 | 1.6149 | HoCuS2 | 0 | ['Cu', 'Ho', 'S'] | # generated using pymatgen
data_HoCuS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94496500
_cell_length_b 6.24253400
_cell_length_c 13.39075500
_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_HoCuS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94496500
_cell_length_b 6.24253400
_cell_length_c 13.39075500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,615 | 919 | mp-1105896 | -0.552161 | 0 | La5Pb3 | 0 | ['La', 'Pb'] | # generated using pymatgen
data_La5Pb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.66937132
_cell_length_b 9.66937132
_cell_length_c 7.00449000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999532
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 193 | 193 | # generated using pymatgen
data_La5Pb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.66937132
_cell_length_b 9.66937132
_cell_length_c 7.00449000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,616 | 18,792 | mp-30111 | -1.870012 | 0.1953 | BaLaI4 | 0 | ['Ba', 'I', 'La'] | # generated using pymatgen
data_BaLaI4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.28414810
_cell_length_b 9.28414810
_cell_length_c 7.56438582
_cell_angle_alpha 72.10839030
_cell_angle_beta 72.10839030
_cell_angle_gamma 111.01421814
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_BaLaI4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.51530000
_cell_length_b 15.30392400
_cell_length_c 7.56438582
_cell_angle_alpha 90.00000000
_cell_angle_beta 122.85366903
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,617 | 14,757 | mp-20027 | -0.536761 | 0.4713 | FeP2 | 0 | ['Fe', 'P'] | # generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.72379100
_cell_length_b 4.96140000
_cell_length_c 5.64540500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe... | 58 | 58 | # generated using pymatgen
data_FeP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.72379100
_cell_length_b 4.96140000
_cell_length_c 5.64540500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe... |
24,618 | 38,534 | mp-1092293 | -0.19768 | 0 | Bi2Pt | 0.049649 | ['Bi', 'Pt'] | # generated using pymatgen
data_Bi2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.95725562
_cell_length_b 3.95725562
_cell_length_c 5.92704935
_cell_angle_alpha 88.43743859
_cell_angle_beta 88.43743859
_cell_angle_gamma 64.04654724
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... | 12 | 12 | # generated using pymatgen
data_Bi2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.71018201
_cell_length_b 4.19677800
_cell_length_c 5.92704935
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.84309602
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... |
24,619 | 28,197 | mp-1218335 | -0.312631 | 0 | SrCaSi4 | 0.014198 | ['Ca', 'Si', 'Sr'] | # generated using pymatgen
data_SrCaSi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93522181
_cell_length_b 3.93522181
_cell_length_c 10.12870600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999677
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 164 | 164 | # generated using pymatgen
data_SrCaSi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93522181
_cell_length_b 3.93522181
_cell_length_c 10.12870600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,620 | 24,376 | mp-540872 | -1.422899 | 0.0948 | AgSbO3 | 0.006889 | ['Ag', 'O', 'Sb'] | # generated using pymatgen
data_AgSbO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.37068734
_cell_length_b 7.37068734
_cell_length_c 7.37068734
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 227 | 227 | # generated using pymatgen
data_AgSbO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.42372600
_cell_length_b 10.42372600
_cell_length_c 10.42372600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,621 | 32,128 | mp-1187677 | -0.567245 | 0 | YbCuPd2 | 0.025603 | ['Cu', 'Pd', 'Yb'] | # generated using pymatgen
data_YbCuPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52497853
_cell_length_b 4.52497853
_cell_length_c 4.52497853
_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_YbCuPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.39928601
_cell_length_b 6.39928601
_cell_length_c 6.39928601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,622 | 38,655 | mp-1212258 | -1.815133 | 0.883 | K2CoH2(SO5)2 | 0.048531 | ['Co', 'H', 'K', 'O', 'S'] | # generated using pymatgen
data_K2CoH2(SO5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27281632
_cell_length_b 6.61286319
_cell_length_c 7.40968857
_cell_angle_alpha 107.57907099
_cell_angle_beta 96.30717230
_cell_angle_gamma 104.04707460
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | 2 | 2 | # generated using pymatgen
data_K2CoH2(SO5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27281632
_cell_length_b 6.61286319
_cell_length_c 7.40968857
_cell_angle_alpha 107.57907099
_cell_angle_beta 96.30717230
_cell_angle_gamma 104.04707460
_symmetry_Int_Tables_number 1
_chemical_formula_struc... |
24,623 | 1,855 | mp-549333 | -2.276356 | 1.2771 | NdBi2IO4 | 0 | ['Bi', 'I', 'Nd', 'O'] | # generated using pymatgen
data_NdBi2IO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01302800
_cell_length_b 4.01302800
_cell_length_c 9.75808600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 123 | 123 | # generated using pymatgen
data_NdBi2IO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01302800
_cell_length_b 4.01302800
_cell_length_c 9.75808600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,624 | 25,667 | mp-1209111 | -2.631992 | 4.9009 | RbSrCl3 | 0.009471 | ['Cl', 'Rb', 'Sr'] | # generated using pymatgen
data_RbSrCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.82755000
_cell_length_b 7.82755000
_cell_length_c 5.75905200
_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_RbSrCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.82755000
_cell_length_b 7.82755000
_cell_length_c 5.75905200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,625 | 18,952 | mp-865362 | -0.230272 | 0 | Zn3Ir | 0 | ['Zn', 'Ir'] | # generated using pymatgen
data_Zn3Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85543127
_cell_length_b 4.85543127
_cell_length_c 4.85543127
_cell_angle_alpha 134.86521884
_cell_angle_beta 134.86521884
_cell_angle_gamma 65.73969124
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_Zn3Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72673600
_cell_length_b 3.72673600
_cell_length_c 8.15620800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... |
24,626 | 1,097 | mp-11151 | -1.537411 | 1.0562 | NaPrTe2 | 0 | ['Na', 'Pr', 'Te'] | # generated using pymatgen
data_NaPrTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.19288313
_cell_length_b 9.19288313
_cell_length_c 9.19288313
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 227 | 227 | # generated using pymatgen
data_NaPrTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.00070000
_cell_length_b 13.00070000
_cell_length_c 13.00070000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,627 | 28,938 | mp-7685 | -1.997273 | 0 | BaRhO3 | 0.015494 | ['Ba', 'O', 'Rh'] | # generated using pymatgen
data_BaRhO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83032203
_cell_length_b 5.83032203
_cell_length_c 9.81147600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000035
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_BaRhO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83032203
_cell_length_b 5.83032203
_cell_length_c 9.81147600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,628 | 36,203 | mp-1220052 | -0.055207 | 0 | NiPt | 0.038854 | ['Ni', 'Pt'] | # generated using pymatgen
data_NiPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49728380
_cell_length_b 4.49728380
_cell_length_c 4.49728354
_cell_angle_alpha 35.17199921
_cell_angle_beta 35.17199921
_cell_angle_gamma 35.17200763
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ni... | 166 | 166 | # generated using pymatgen
data_NiPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.71759165
_cell_length_b 2.71759165
_cell_length_c 12.64413445
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,629 | 7,041 | mp-1080029 | -2.547174 | 0 | Ba2Mn2Se2OF2 | 0 | ['Ba', 'F', 'Mn', 'O', 'Se'] | # generated using pymatgen
data_Ba2Mn2Se2OF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32033200
_cell_length_b 4.32041100
_cell_length_c 10.46584843
_cell_angle_alpha 101.91141485
_cell_angle_beta 101.91116689
_cell_angle_gamma 90.00440291
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | 139 | 139 | # generated using pymatgen
data_Ba2Mn2Se2OF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32037150
_cell_length_b 4.32037150
_cell_length_c 20.02009300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
24,630 | 33,837 | mp-22616 | -1.286349 | 1.8578 | CoSeO3 | 0.029257 | ['Co', 'O', 'Se'] | # generated using pymatgen
data_CoSeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09180900
_cell_length_b 6.01505800
_cell_length_c 7.66077200
_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_CoSeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09180900
_cell_length_b 6.01505800
_cell_length_c 7.66077200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,631 | 39,313 | mp-20513 | -0.289632 | 0 | U3MnSb5 | 0.051168 | ['Mn', 'Sb', 'U'] | # generated using pymatgen
data_U3MnSb5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.97245615
_cell_length_b 8.97245615
_cell_length_c 6.10408200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000108
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 193 | 193 | # generated using pymatgen
data_U3MnSb5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.97245615
_cell_length_b 8.97245615
_cell_length_c 6.10408200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,632 | 12,289 | mp-28111 | -1.291696 | 0.2238 | K3NO3 | 0 | ['K', 'N', 'O'] | # generated using pymatgen
data_K3NO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38697239
_cell_length_b 7.38697239
_cell_length_c 7.38697239
_cell_angle_alpha 120.57880955
_cell_angle_beta 120.57880955
_cell_angle_gamma 89.00036237
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 108 | 108 | # generated using pymatgen
data_K3NO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.32225200
_cell_length_b 7.32225200
_cell_length_c 10.53749000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,633 | 25,844 | mp-22137 | -2.615529 | 1.1834 | DyCoO3 | 0.009308 | ['Co', 'Dy', 'O'] | # generated using pymatgen
data_DyCoO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23396200
_cell_length_b 5.70056700
_cell_length_c 7.35462000
_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_DyCoO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23396200
_cell_length_b 5.70056700
_cell_length_c 7.35462000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,634 | 7,614 | mp-1187520 | -0.369226 | 0 | YbSmAg2 | 0 | ['Ag', 'Sm', 'Yb'] | # generated using pymatgen
data_YbSmAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19238550
_cell_length_b 5.19238550
_cell_length_c 5.19238550
_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_YbSmAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.34314200
_cell_length_b 7.34314200
_cell_length_c 7.34314200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,635 | 43,060 | mp-1104748 | -0.221911 | 0 | Yb(Ga2Ge)2 | 0.07041 | ['Ga', 'Ge', 'Yb'] | # generated using pymatgen
data_Yb(Ga2Ge)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11032800
_cell_length_b 6.11032800
_cell_length_c 8.69970429
_cell_angle_alpha 110.55951917
_cell_angle_beta 110.55951917
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 108 | 108 | # generated using pymatgen
data_Yb(Ga2Ge)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11032800
_cell_length_b 6.11032800
_cell_length_c 15.10189400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,636 | 8,598 | mp-1105715 | -1.181614 | 0.3554 | TiGeS3 | 0 | ['Ge', 'S', 'Ti'] | # generated using pymatgen
data_TiGeS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.50525000
_cell_length_b 9.11114200
_cell_length_c 13.42202900
_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_TiGeS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.50525000
_cell_length_b 9.11114200
_cell_length_c 13.42202900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,637 | 35,179 | mp-1216506 | -2.120626 | 0 | V4AgO10 | 0.035362 | ['Ag', 'O', 'V'] | # generated using pymatgen
data_V4AgO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68874700
_cell_length_b 6.19146853
_cell_length_c 9.17920864
_cell_angle_alpha 91.34312117
_cell_angle_beta 90.00000000
_cell_angle_gamma 72.66911889
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 8 | 8 | # generated using pymatgen
data_V4AgO10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.82075646
_cell_length_b 3.68874700
_cell_length_c 9.17920864
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.40701091
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,638 | 20,882 | mp-569613 | -0.876146 | 1.9311 | Ba2P7Cl | 0.000778 | ['Ba', 'Cl', 'P'] | # generated using pymatgen
data_Ba2P7Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.92966900
_cell_length_b 6.42156500
_cell_length_c 11.87969171
_cell_angle_alpha 84.76765860
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 11 | 11 | # generated using pymatgen
data_Ba2P7Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.42156500
_cell_length_b 6.92966900
_cell_length_c 11.87969171
_cell_angle_alpha 90.00000000
_cell_angle_beta 95.23234140
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,639 | 37,680 | mp-1216183 | -0.135122 | 0 | Y3VCo8 | 0.043634 | ['Co', 'V', 'Y'] | # generated using pymatgen
data_Y3VCo8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04930130
_cell_length_b 5.04930130
_cell_length_c 8.39838268
_cell_angle_alpha 72.50566711
_cell_angle_beta 72.50566711
_cell_angle_gamma 60.00000912
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 160 | 160 | # generated using pymatgen
data_Y3VCo8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04930165
_cell_length_b 5.04930165
_cell_length_c 23.62856700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,640 | 39,427 | mp-755769 | -3.76188 | 4.2052 | ZrO2 | 0.051737 | ['Zr', 'O'] | # generated using pymatgen
data_ZrO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.99358588
_cell_length_b 6.99358588
_cell_length_c 7.11783881
_cell_angle_alpha 74.16781204
_cell_angle_beta 74.16781204
_cell_angle_gamma 33.60199069
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr... | 12 | 12 | # generated using pymatgen
data_ZrO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.39012201
_cell_length_b 4.04297000
_cell_length_c 7.11783881
_cell_angle_alpha 90.00000000
_cell_angle_beta 106.55798309
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,641 | 10,385 | mp-5676 | -0.428185 | 0 | MnSbPt | 0 | ['Mn', 'Sb', 'Pt'] | # generated using pymatgen
data_MnSbPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40715191
_cell_length_b 4.40715191
_cell_length_c 4.40715191
_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_MnSbPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.23265400
_cell_length_b 6.23265400
_cell_length_c 6.23265400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,642 | 30,268 | mp-1228006 | -0.145357 | 0 | AlV2 | 0.019728 | ['Al', 'V'] | # generated using pymatgen
data_AlV2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.67368110
_cell_length_b 6.52520259
_cell_length_c 2.63841703
_cell_angle_alpha 81.64793070
_cell_angle_beta 75.32576956
_cell_angle_gamma 23.02629974
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al... | 69 | 69 | # generated using pymatgen
data_AlV2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.16275000
_cell_length_b 4.22397800
_cell_length_c 12.66136200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... |
24,643 | 41,158 | mp-1206106 | -3.46318 | 5.5767 | Rb3NdF6 | 0.060656 | ['F', 'Nd', 'Rb'] | # generated using pymatgen
data_Rb3NdF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.01062574
_cell_length_b 7.01062574
_cell_length_c 7.01062574
_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_Rb3NdF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.91452200
_cell_length_b 9.91452200
_cell_length_c 9.91452200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,644 | 41,701 | mp-1220647 | -0.097178 | 0 | Nb3AlV3Sn | 0.061761 | ['Al', 'Nb', 'Sn', 'V'] | # generated using pymatgen
data_Nb3AlV3Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09325395
_cell_length_b 5.09325395
_cell_length_c 5.09325431
_cell_angle_alpha 90.13251157
_cell_angle_beta 90.13251157
_cell_angle_gamma 90.13252182
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 146 | 146 | # generated using pymatgen
data_Nb3AlV3Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.21127380
_cell_length_b 7.21127380
_cell_length_c 8.80134799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,645 | 33,438 | mp-777900 | -2.956959 | 4.0707 | Li3FeF6 | 0.02833 | ['F', 'Fe', 'Li'] | # generated using pymatgen
data_Li3FeF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12702980
_cell_length_b 5.12702980
_cell_length_c 9.64977100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999747
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 163 | 163 | # generated using pymatgen
data_Li3FeF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12702980
_cell_length_b 5.12702980
_cell_length_c 9.64977100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,646 | 11,177 | mp-1216242 | -0.64712 | 0 | W2N3 | 0 | ['N', 'W'] | # generated using pymatgen
data_W2N3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01437591
_cell_length_b 5.01437591
_cell_length_c 5.38021089
_cell_angle_alpha 80.88419557
_cell_angle_beta 80.88419557
_cell_angle_gamma 119.71887366
_symmetry_Int_Tables_number 1
_chemical_formula_structural W... | 8 | 8 | # generated using pymatgen
data_W2N3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03566800
_cell_length_b 8.67282600
_cell_length_c 5.38021089
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.39227432
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural W... |
24,647 | 35,865 | mp-568100 | -0.880314 | 1.1042 | ReNCl4 | 0.036168 | ['Cl', 'N', 'Re'] | # generated using pymatgen
data_ReNCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.55375976
_cell_length_b 6.55375976
_cell_length_c 6.55375976
_cell_angle_alpha 95.63047589
_cell_angle_beta 95.63047589
_cell_angle_gamma 143.49216336
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 79 | 79 | # generated using pymatgen
data_ReNCl4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.80200800
_cell_length_b 8.80200800
_cell_length_c 4.10565200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,648 | 22,155 | mp-1210261 | -1.739554 | 1.73 | NaCr2FeO8 | 0.003163 | ['Cr', 'Fe', 'Na', 'O'] | # generated using pymatgen
data_NaCr2FeO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05250351
_cell_length_b 5.05250351
_cell_length_c 7.17575185
_cell_angle_alpha 87.97659843
_cell_angle_beta 87.97659843
_cell_angle_gamma 65.86065817
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 12 | 12 | # generated using pymatgen
data_NaCr2FeO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.48145799
_cell_length_b 5.49327199
_cell_length_c 7.17575185
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.41093822
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,649 | 25,318 | mp-23160 | -2.162958 | 3.0052 | ThBr4 | 0.008259 | ['Br', 'Th'] | # generated using pymatgen
data_ThBr4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.60244460
_cell_length_b 7.60244460
_cell_length_c 7.60244460
_cell_angle_alpha 107.14418842
_cell_angle_beta 107.14418842
_cell_angle_gamma 114.23280749
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 141 | 141 | # generated using pymatgen
data_ThBr4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.02882800
_cell_length_b 9.02882800
_cell_length_c 8.25525200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... |
24,650 | 43,738 | mp-1238878 | -1.049459 | 0 | Rb(CrS2)2 | 0.07212 | ['Cr', 'Rb', 'S'] | # generated using pymatgen
data_Rb(CrS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.33844795
_cell_length_b 8.33844795
_cell_length_c 5.61920333
_cell_angle_alpha 76.79330961
_cell_angle_beta 76.79330961
_cell_angle_gamma 23.72291772
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 12 | 12 | # generated using pymatgen
data_Rb(CrS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 16.32080200
_cell_length_b 3.42786800
_cell_length_c 5.61920333
_cell_angle_alpha 90.00000000
_cell_angle_beta 103.50023107
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,651 | 44,154 | mp-1185952 | -0.317104 | 0 | MgPt5 | 0.073769 | ['Mg', 'Pt'] | # generated using pymatgen
data_MgPt5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89196615
_cell_length_b 4.89196615
_cell_length_c 4.56253500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000199
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_MgPt5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89196615
_cell_length_b 4.89196615
_cell_length_c 4.56253500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,652 | 6,276 | mp-23675 | -0.695683 | 4.8195 | H4BrN | 0 | ['Br', 'H', 'N'] | # generated using pymatgen
data_H4BrN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84676400
_cell_length_b 5.84676400
_cell_length_c 4.35176300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... | 129 | 129 | # generated using pymatgen
data_H4BrN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84676400
_cell_length_b 5.84676400
_cell_length_c 4.35176300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... |
24,653 | 15,193 | mp-1224334 | -0.727432 | 0 | HfNbC2 | 0 | ['C', 'Hf', 'Nb'] | # generated using pymatgen
data_HfNbC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.61495666
_cell_length_b 5.61495666
_cell_length_c 5.61495687
_cell_angle_alpha 33.41426198
_cell_angle_beta 33.41426198
_cell_angle_gamma 33.41425750
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_HfNbC2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.22837224
_cell_length_b 3.22837224
_cell_length_c 15.88969755
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,654 | 838 | mp-1104116 | -0.731597 | 0 | La2H5 | 0 | ['H', 'La'] | # generated using pymatgen
data_La2H5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.90493772
_cell_length_b 6.90493772
_cell_length_c 6.90493772
_cell_angle_alpha 132.40954296
_cell_angle_beta 132.40954296
_cell_angle_gamma 69.58296236
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 141 | 141 | # generated using pymatgen
data_La2H5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57185800
_cell_length_b 5.57185800
_cell_length_c 11.34114000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,655 | 3,243 | mp-16342 | -0.862008 | 0 | HoGe | 0 | ['Ho', 'Ge'] | # generated using pymatgen
data_HoGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.75727724
_cell_length_b 5.75727724
_cell_length_c 3.94558200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 136.42303482
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... | 63 | 63 | # generated using pymatgen
data_HoGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27398600
_cell_length_b 10.69196000
_cell_length_c 3.94558200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... |
24,656 | 39,687 | mp-1217412 | -0.620635 | 0.236 | TbZnAgAs2 | 0.052286 | ['Ag', 'As', 'Tb', 'Zn'] | # generated using pymatgen
data_TbZnAgAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26512336
_cell_length_b 4.26512336
_cell_length_c 6.89136900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999014
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 156 | 156 | # generated using pymatgen
data_TbZnAgAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26512336
_cell_length_b 4.26512336
_cell_length_c 6.89136900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,657 | 36,361 | mp-6065 | -2.617798 | 0.7323 | Sr2GaSbO6 | 0.039008 | ['Sr', 'Ga', 'Sb', 'O'] | # generated using pymatgen
data_Sr2GaSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64090051
_cell_length_b 5.64090051
_cell_length_c 5.64090051
_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_Sr2GaSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.97743801
_cell_length_b 7.97743801
_cell_length_c 7.97743801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,658 | 38,522 | mp-1077266 | -1.340195 | 2.7354 | KLiS | 0.048966 | ['K', 'Li', 'S'] | # generated using pymatgen
data_KLiS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21591792
_cell_length_b 4.21591792
_cell_length_c 9.06862500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999880
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... | 194 | 194 | # generated using pymatgen
data_KLiS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21591792
_cell_length_b 4.21591792
_cell_length_c 9.06862500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... |
24,659 | 2,605 | mp-1187186 | -0.52713 | 0 | SrLaHg2 | 0 | ['Hg', 'La', 'Sr'] | # generated using pymatgen
data_SrLaHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.59346354
_cell_length_b 5.59346354
_cell_length_c 5.59346354
_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_SrLaHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.91035200
_cell_length_b 7.91035200
_cell_length_c 7.91035200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,660 | 2,721 | mp-13120 | -0.722845 | 0 | CeSi3Ru | 0 | ['Ce', 'Ru', 'Si'] | # generated using pymatgen
data_CeSi3Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.80884447
_cell_length_b 5.80884447
_cell_length_c 5.80884447
_cell_angle_alpha 137.75173247
_cell_angle_beta 137.75173247
_cell_angle_gamma 61.28344526
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 107 | 107 | # generated using pymatgen
data_CeSi3Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.18689600
_cell_length_b 4.18689600
_cell_length_c 9.99552400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,661 | 35,373 | mp-558696 | -1.238741 | 0 | CuTeO3 | 0.0352 | ['Cu', 'O', 'Te'] | # generated using pymatgen
data_CuTeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.35621600
_cell_length_b 5.29051700
_cell_length_c 7.56910291
_cell_angle_alpha 51.93507318
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 14 | 14 | # generated using pymatgen
data_CuTeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29051700
_cell_length_b 9.35621600
_cell_length_c 7.56910291
_cell_angle_alpha 90.00000000
_cell_angle_beta 128.06492682
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,662 | 7,621 | mp-1188119 | -0.846734 | 0 | PrGaPd2 | 0 | ['Ga', 'Pd', 'Pr'] | # generated using pymatgen
data_PrGaPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81536400
_cell_length_b 7.16092800
_cell_length_c 7.63265600
_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_PrGaPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81536400
_cell_length_b 7.16092800
_cell_length_c 7.63265600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,663 | 26,454 | mp-944 | -0.042987 | 0 | AlB2 | 0.010137 | ['Al', 'B'] | # generated using pymatgen
data_AlB2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.00698577
_cell_length_b 3.00698577
_cell_length_c 3.27442400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999495
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | 191 | 191 | # generated using pymatgen
data_AlB2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.00698577
_cell_length_b 3.00698577
_cell_length_c 3.27442400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... |
24,664 | 2,702 | mp-1227329 | -2.226088 | 3.3861 | CaCd(CO3)2 | 0 | ['C', 'Ca', 'Cd', 'O'] | # generated using pymatgen
data_CaCd(CO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.33370221
_cell_length_b 6.33370221
_cell_length_c 6.33370278
_cell_angle_alpha 46.89651270
_cell_angle_beta 46.89651270
_cell_angle_gamma 46.89650692
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 148 | 148 | # generated using pymatgen
data_CaCd(CO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04062241
_cell_length_b 5.04062241
_cell_length_c 16.87656505
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,665 | 24,426 | mp-672194 | -0.279807 | 0 | CaIn4Ni | 0.006223 | ['Ca', 'In', 'Ni'] | # generated using pymatgen
data_CaIn4Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51712349
_cell_length_b 7.31233800
_cell_length_c 8.68163714
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.07919626
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_CaIn4Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51712349
_cell_length_b 16.76540734
_cell_length_c 7.31233800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,666 | 44,261 | mp-1239216 | -1.212568 | 0.4232 | HfCrCuS4 | 0.075685 | ['Cr', 'Cu', 'Hf', 'S'] | # generated using pymatgen
data_HfCrCuS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.06386795
_cell_length_b 6.06793485
_cell_length_c 5.94503324
_cell_angle_alpha 92.40864048
_cell_angle_beta 89.99863978
_cell_angle_gamma 89.99967036
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 3 | 3 | # generated using pymatgen
data_HfCrCuS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94503324
_cell_length_b 7.06386795
_cell_length_c 6.06793485
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.40864048
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,667 | 1,590 | mp-1112596 | -2.792913 | 4.5757 | Cs2NaAsF6 | 0 | ['As', 'Cs', 'F', 'Na'] | # generated using pymatgen
data_Cs2NaAsF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.39493796
_cell_length_b 6.39493796
_cell_length_c 6.39493796
_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_Cs2NaAsF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.04380799
_cell_length_b 9.04380799
_cell_length_c 9.04380799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,668 | 18,081 | mp-11100 | -0.377109 | 0 | YbIn5Rh | 0 | ['In', 'Rh', 'Yb'] | # generated using pymatgen
data_YbIn5Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68710100
_cell_length_b 4.68710100
_cell_length_c 7.55495600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 123 | 123 | # generated using pymatgen
data_YbIn5Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68710100
_cell_length_b 4.68710100
_cell_length_c 7.55495600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,669 | 43,490 | mvc-3477 | -2.716052 | 3.0349 | MnZnF4 | 0.069604 | ['F', 'Mn', 'Zn'] | # generated using pymatgen
data_MnZnF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28853116
_cell_length_b 5.20248046
_cell_length_c 6.47402462
_cell_angle_alpha 115.01777986
_cell_angle_beta 114.86107121
_cell_angle_gamma 90.00414971
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 5 | 5 | # generated using pymatgen
data_MnZnF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.50430302
_cell_length_b 5.28853116
_cell_length_c 5.20248046
_cell_angle_alpha 90.00000000
_cell_angle_beta 115.36832899
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,670 | 40,917 | mp-755475 | -2.081874 | 1.1543 | Co3OF5 | 0.057948 | ['Co', 'F', 'O'] | # generated using pymatgen
data_Co3OF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.71648522
_cell_length_b 4.71648522
_cell_length_c 9.48302900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 92.47312709
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 38 | 38 | # generated using pymatgen
data_Co3OF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.52462000
_cell_length_b 6.81250800
_cell_length_c 9.48302900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,671 | 38,737 | mp-1226090 | -0.351344 | 0 | Co5Te6 | 0.047924 | ['Co', 'Te'] | # generated using pymatgen
data_Co5Te6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.61332305
_cell_length_b 6.61332305
_cell_length_c 6.61332280
_cell_angle_alpha 61.35721123
_cell_angle_beta 61.35721123
_cell_angle_gamma 61.35721799
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 148 | 148 | # generated using pymatgen
data_Co5Te6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.74852360
_cell_length_b 6.74852360
_cell_length_c 16.03111533
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,672 | 31,348 | mp-3000 | -0.320627 | 0 | Cr3GaN | 0.022125 | ['Cr', 'Ga', 'N'] | # generated using pymatgen
data_Cr3GaN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82920200
_cell_length_b 3.82920200
_cell_length_c 3.82920200
_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_Cr3GaN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82920200
_cell_length_b 3.82920200
_cell_length_c 3.82920200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,673 | 25,889 | mp-554601 | -2.329106 | 0 | RbCuF3 | 0.00953 | ['Rb', 'Cu', 'F'] | # generated using pymatgen
data_RbCuF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14119400
_cell_length_b 4.14119400
_cell_length_c 4.14119400
_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_RbCuF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.14119400
_cell_length_b 4.14119400
_cell_length_c 4.14119400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,674 | 23,662 | mp-1215817 | -0.427113 | 0 | Zr2GaCo3 | 0.005352 | ['Co', 'Ga', 'Zr'] | # generated using pymatgen
data_Zr2GaCo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09210227
_cell_length_b 5.09210227
_cell_length_c 7.79540300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000348
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 194 | 194 | # generated using pymatgen
data_Zr2GaCo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09210227
_cell_length_b 5.09210227
_cell_length_c 7.79540300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,675 | 31,725 | mp-1223797 | 0.023806 | 0 | HoTh | 0.023806 | ['Ho', 'Th'] | # generated using pymatgen
data_HoTh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.13668225
_cell_length_b 6.13668225
_cell_length_c 6.13668180
_cell_angle_alpha 33.60455152
_cell_angle_beta 33.60455152
_cell_angle_gamma 33.60455858
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho... | 166 | 166 | # generated using pymatgen
data_HoTh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.54785958
_cell_length_b 3.54785958
_cell_length_c 17.35418927
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,676 | 34,812 | mp-20286 | -2.442266 | 0 | Ba2ReNiO6 | 0.033321 | ['Ba', 'Ni', 'O', 'Re'] | # generated using pymatgen
data_Ba2ReNiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76705114
_cell_length_b 5.76708048
_cell_length_c 5.76712600
_cell_angle_alpha 59.99932697
_cell_angle_beta 59.99996434
_cell_angle_gamma 60.00058181
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 225 | 225 | # generated using pymatgen
data_Ba2ReNiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.15588845
_cell_length_b 8.15588845
_cell_length_c 8.15588845
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
24,677 | 4,380 | mp-568662 | -2.968237 | 5.6116 | BaCl2 | 0 | ['Ba', 'Cl'] | # generated using pymatgen
data_BaCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24236240
_cell_length_b 5.24236240
_cell_length_c 5.24236240
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... | 225 | 225 | # generated using pymatgen
data_BaCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.41382000
_cell_length_b 7.41382000
_cell_length_c 7.41382000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... |
24,678 | 3,367 | mp-555321 | -3.385121 | 4.1829 | BaNiF4 | 0 | ['Ba', 'Ni', 'F'] | # generated using pymatgen
data_BaNiF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.67984400
_cell_length_b 7.67984400
_cell_length_c 5.90878600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 148.22837624
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 36 | 36 | # generated using pymatgen
data_BaNiF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20427000
_cell_length_b 14.77308801
_cell_length_c 5.90878600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,679 | 1,080 | mp-1105666 | -0.689339 | 0 | Rh2Se3 | 0 | ['Rh', 'Se'] | # generated using pymatgen
data_Rh2Se3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.40112000
_cell_length_b 6.52896100
_cell_length_c 9.02851500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 60 | 60 | # generated using pymatgen
data_Rh2Se3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.40112000
_cell_length_b 6.52896100
_cell_length_c 9.02851500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,680 | 21,461 | mp-862339 | -0.470385 | 0 | Sc2GaAg | 0.001164 | ['Sc', 'Ga', 'Ag'] | # generated using pymatgen
data_Sc2GaAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82114313
_cell_length_b 4.82114313
_cell_length_c 4.82114313
_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_Sc2GaAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.81812600
_cell_length_b 6.81812600
_cell_length_c 6.81812600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,681 | 38,913 | mp-755044 | -3.741772 | 4.2159 | CaTb2O4 | 0.048219 | ['Ca', 'O', 'Tb'] | # generated using pymatgen
data_CaTb2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.87604776
_cell_length_b 6.87604776
_cell_length_c 6.87604776
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 227 | 227 | # generated using pymatgen
data_CaTb2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.72420000
_cell_length_b 9.72420000
_cell_length_c 9.72420000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,682 | 34,182 | mp-1216225 | -0.688876 | 0.7632 | Y(CuTe)3 | 0.031957 | ['Cu', 'Te', 'Y'] | # generated using pymatgen
data_Y(CuTe)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.19113367
_cell_length_b 8.19113367
_cell_length_c 8.19113318
_cell_angle_alpha 54.21358160
_cell_angle_beta 54.21358160
_cell_angle_gamma 54.21357459
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 148 | 148 | # generated using pymatgen
data_Y(CuTe)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.46458633
_cell_length_b 7.46458633
_cell_length_c 20.89717351
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
24,683 | 41,280 | mp-1247151 | -1.092987 | 0.5848 | Mg2Cr3CoS8 | 0.058761 | ['Co', 'Cr', 'Mg', 'S'] | # generated using pymatgen
data_Mg2Cr3CoS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.15161787
_cell_length_b 7.15162216
_cell_length_c 7.15104903
_cell_angle_alpha 60.07625436
_cell_angle_beta 60.07538905
_cell_angle_gamma 60.07976264
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 166 | 166 | # generated using pymatgen
data_Mg2Cr3CoS8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.15990845
_cell_length_b 7.15990845
_cell_length_c 17.50713496
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,684 | 10,739 | mp-21258 | -0.616864 | 0 | EuIn2Pd | 0 | ['Eu', 'In', 'Pd'] | # generated using pymatgen
data_EuIn2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78640594
_cell_length_b 5.78640594
_cell_length_c 7.93599500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 133.40047100
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_EuIn2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57753000
_cell_length_b 10.62902601
_cell_length_c 7.93599500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,685 | 32,937 | mp-758741 | -0.604882 | 0 | Li(FeP)2 | 0.026109 | ['Li', 'Fe', 'P'] | # generated using pymatgen
data_Li(FeP)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24704759
_cell_length_b 5.24704759
_cell_length_c 5.24704759
_cell_angle_alpha 137.98326622
_cell_angle_beta 137.98326622
_cell_angle_gamma 60.92862809
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 139 | 139 | # generated using pymatgen
data_Li(FeP)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.76217800
_cell_length_b 3.76217800
_cell_length_c 9.04533399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,686 | 35,212 | mp-1219548 | -3.317281 | 2.6129 | RbTi3AlO8 | 0.034577 | ['Al', 'O', 'Rb', 'Ti'] | # generated using pymatgen
data_RbTi3AlO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.98418100
_cell_length_b 7.31750857
_cell_length_c 7.33243804
_cell_angle_alpha 87.68447532
_cell_angle_beta 101.62847596
_cell_angle_gamma 101.72157613
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 1 | 1 | # generated using pymatgen
data_RbTi3AlO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.98418100
_cell_length_b 7.31750857
_cell_length_c 7.33243804
_cell_angle_alpha 87.68447532
_cell_angle_beta 101.62847596
_cell_angle_gamma 101.72157613
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
24,687 | 29,836 | mp-19237 | -2.716555 | 0 | Sr2MoO4 | 0.01799 | ['Sr', 'Mo', 'O'] | # generated using pymatgen
data_Sr2MoO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02203523
_cell_length_b 4.02203541
_cell_length_c 7.08951771
_cell_angle_alpha 106.47881060
_cell_angle_beta 106.47881502
_cell_angle_gamma 89.99999296
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 139 | 139 | # generated using pymatgen
data_Sr2MoO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02203532
_cell_length_b 4.02203532
_cell_length_c 12.98812924
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,688 | 171 | mp-2489 | -0.12475 | 0 | UC | 0 | ['U', 'C'] | # generated using pymatgen
data_UC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.49109790
_cell_length_b 3.49109790
_cell_length_c 3.49109790
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural UC
_... | 225 | 225 | # generated using pymatgen
data_UC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.93715800
_cell_length_b 4.93715800
_cell_length_c 4.93715800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural UC
_... |
24,689 | 11,190 | mp-1220139 | -1.008405 | 0 | NdGePt | 0 | ['Ge', 'Nd', 'Pt'] | # generated using pymatgen
data_NdGePt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76278686
_cell_length_b 5.76278686
_cell_length_c 7.34335679
_cell_angle_alpha 51.48835784
_cell_angle_beta 51.48835784
_cell_angle_gamma 45.23086589
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_NdGePt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.63933399
_cell_length_b 4.43209000
_cell_length_c 7.34335679
_cell_angle_alpha 90.00000000
_cell_angle_beta 132.41854560
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,690 | 14,834 | mp-36988 | -1.470667 | 2.8461 | Ca(AlSe2)2 | 0 | ['Al', 'Ca', 'Se'] | # generated using pymatgen
data_Ca(AlSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.22520408
_cell_length_b 6.22520408
_cell_length_c 10.75129300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.56297609
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 66 | 66 | # generated using pymatgen
data_Ca(AlSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.26628000
_cell_length_b 10.75855001
_cell_length_c 10.75129300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
24,691 | 26,622 | mp-1186318 | 0.010894 | 0 | NdLu3 | 0.010894 | ['Lu', 'Nd'] | # generated using pymatgen
data_NdLu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.14959261
_cell_length_b 7.14959261
_cell_length_c 5.63279900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000562
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_NdLu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.14959261
_cell_length_b 7.14959261
_cell_length_c 5.63279900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,692 | 3,101 | mp-1185317 | -0.509532 | 0 | LiBe2Pt | 0 | ['Be', 'Li', 'Pt'] | # generated using pymatgen
data_LiBe2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.93218545
_cell_length_b 3.93218545
_cell_length_c 3.93218545
_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_LiBe2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.56094999
_cell_length_b 5.56094999
_cell_length_c 5.56094999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
24,693 | 43,736 | mp-1236485 | -1.564855 | 0 | Rb2Li(OsO3)2 | 0.071605 | ['Li', 'O', 'Os', 'Rb'] | # generated using pymatgen
data_Rb2Li(OsO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65705552
_cell_length_b 5.65564079
_cell_length_c 6.45455418
_cell_angle_alpha 64.09215859
_cell_angle_beta 64.04769645
_cell_angle_gamma 60.03039918
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 148 | 148 | # generated using pymatgen
data_Rb2Li(OsO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65800130
_cell_length_b 5.65800130
_cell_length_c 16.71318578
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... |
24,694 | 3,592 | mp-1112671 | -2.47916 | 4.9508 | Cs2LiSmCl6 | 0 | ['Cl', 'Cs', 'Li', 'Sm'] | # generated using pymatgen
data_Cs2LiSmCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.58299898
_cell_length_b 7.58299898
_cell_length_c 7.58299898
_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_Cs2LiSmCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.72398000
_cell_length_b 10.72398000
_cell_length_c 10.72398000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
24,695 | 25,740 | mp-1222038 | -2.262393 | 0.3092 | MgCu2(PO4)2 | 0.009216 | ['Cu', 'Mg', 'O', 'P'] | # generated using pymatgen
data_MgCu2(PO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90055900
_cell_length_b 5.33143457
_cell_length_c 6.37823345
_cell_angle_alpha 108.17688202
_cell_angle_beta 86.97815861
_cell_angle_gamma 111.28818702
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 1 | 1 | # generated using pymatgen
data_MgCu2(PO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90055900
_cell_length_b 5.33143457
_cell_length_c 6.37823345
_cell_angle_alpha 108.17688202
_cell_angle_beta 86.97815861
_cell_angle_gamma 111.28818702
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
24,696 | 28,586 | mp-1183324 | 0.00977 | 0 | BaSr3 | 0.015435 | ['Ba', 'Sr'] | # generated using pymatgen
data_BaSr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.81182550
_cell_length_b 6.81182550
_cell_length_c 6.81182550
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... | 225 | 225 | # generated using pymatgen
data_BaSr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.63337601
_cell_length_b 9.63337601
_cell_length_c 9.63337601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... |
24,697 | 27,173 | mp-1217961 | -0.019694 | 0 | TaAu | 0.011957 | ['Au', 'Ta'] | # generated using pymatgen
data_TaAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.92797800
_cell_length_b 2.92797800
_cell_length_c 4.14480300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta... | 123 | 123 | # generated using pymatgen
data_TaAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.92797800
_cell_length_b 2.92797800
_cell_length_c 4.14480300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta... |
24,698 | 34,351 | mp-33018 | -0.364039 | 0.6212 | Rb3Sb | 0.031635 | ['Rb', 'Sb'] | # generated using pymatgen
data_Rb3Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.34348888
_cell_length_b 6.34348888
_cell_length_c 6.34348888
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural R... | 225 | 225 | # generated using pymatgen
data_Rb3Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.97104801
_cell_length_b 8.97104801
_cell_length_c 8.97104801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural R... |
24,699 | 5,743 | mp-19790 | -1.328199 | 0 | Rh(OF3)2 | 0 | ['Rh', 'O', 'F'] | # generated using pymatgen
data_Rh(OF3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.22800100
_cell_length_b 5.26822806
_cell_length_c 5.28571582
_cell_angle_alpha 91.13212888
_cell_angle_beta 102.47712576
_cell_angle_gamma 100.82789679
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 2 | 2 | # generated using pymatgen
data_Rh(OF3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.22800100
_cell_length_b 5.26822806
_cell_length_c 5.28571582
_cell_angle_alpha 91.13212888
_cell_angle_beta 102.47712576
_cell_angle_gamma 100.82789679
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
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