Unnamed: 0.1 int64 0 27.1k | Unnamed: 0 int64 1 45.2k | material_id stringlengths 4 10 | formation_energy_per_atom float64 -5.15 0.08 | band_gap float64 0 17.9 | pretty_formula stringlengths 1 18 | e_above_hull float64 0 0.08 | elements stringlengths 5 40 | cif stringlengths 692 1.73k | spacegroup.number int64 1 229 | spacegroup.number.conv int64 1 229 | cif.conv stringlengths 696 5.07k |
|---|---|---|---|---|---|---|---|---|---|---|---|
26,700 | 7,219 | mp-1523 | -0.960621 | 0 | ZrP2 | 0 | ['Zr', 'P'] | # generated using pymatgen
data_ZrP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.52656500
_cell_length_b 6.51519400
_cell_length_c 8.82210100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr... | 62 | 62 | # generated using pymatgen
data_ZrP2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.52656500
_cell_length_b 6.51519400
_cell_length_c 8.82210100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr... |
26,701 | 16,703 | mp-1224122 | -3.958785 | 4.132 | Ho4Zr3O12 | 0 | ['Ho', 'O', 'Zr'] | # generated using pymatgen
data_Ho4Zr3O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.36468927
_cell_length_b 6.40438227
_cell_length_c 6.57656115
_cell_angle_alpha 99.85718150
_cell_angle_beta 98.52723842
_cell_angle_gamma 99.58451329
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 2 | 2 | # generated using pymatgen
data_Ho4Zr3O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.36468927
_cell_length_b 6.40438227
_cell_length_c 6.57656115
_cell_angle_alpha 99.85718150
_cell_angle_beta 98.52723842
_cell_angle_gamma 99.58451329
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,702 | 29,615 | mp-1184637 | -0.400418 | 0 | Ho2ZnHg | 0.017814 | ['Hg', 'Ho', 'Zn'] | # generated using pymatgen
data_Ho2ZnHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15521431
_cell_length_b 5.15521431
_cell_length_c 5.15521431
_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_Ho2ZnHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.29057399
_cell_length_b 7.29057399
_cell_length_c 7.29057399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,703 | 44,359 | mp-752542 | -2.527568 | 0 | Li2Ti2Mn3O10 | 0.075369 | ['Li', 'Mn', 'O', 'Ti'] | # generated using pymatgen
data_Li2Ti2Mn3O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04717500
_cell_length_b 5.16560019
_cell_length_c 7.71622930
_cell_angle_alpha 75.46590387
_cell_angle_beta 75.80920670
_cell_angle_gamma 81.24603390
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 2 | 2 | # generated using pymatgen
data_Li2Ti2Mn3O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04717500
_cell_length_b 5.16560019
_cell_length_c 7.71622930
_cell_angle_alpha 75.46590387
_cell_angle_beta 75.80920670
_cell_angle_gamma 81.24603390
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,704 | 33,176 | mp-1217090 | -0.690982 | 0 | Ti8C5 | 0.028105 | ['C', 'Ti'] | # generated using pymatgen
data_Ti8C5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 19.51483639
_cell_length_b 19.51483639
_cell_length_c 19.51483613
_cell_angle_alpha 9.09512001
_cell_angle_beta 9.09512001
_cell_angle_gamma 9.09512118
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | 166 | 166 | # generated using pymatgen
data_Ti8C5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.09452979
_cell_length_b 3.09452979
_cell_length_c 58.29863790
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,705 | 23,146 | mp-1208962 | -2.60766 | 0 | Sm2NiRuO6 | 0.004233 | ['Ni', 'O', 'Ru', 'Sm'] | # generated using pymatgen
data_Sm2NiRuO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78638400
_cell_length_b 5.38883400
_cell_length_c 9.42088000
_cell_angle_alpha 55.46220148
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 14 | 14 | # generated using pymatgen
data_Sm2NiRuO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38883400
_cell_length_b 5.78638400
_cell_length_c 9.42088000
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.53779852
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,706 | 21,083 | mp-1183798 | -0.352687 | 0 | DyLuZn2 | 0.001268 | ['Dy', 'Lu', 'Zn'] | # generated using pymatgen
data_DyLuZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00927172
_cell_length_b 5.00927172
_cell_length_c 5.00927172
_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_DyLuZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.08418000
_cell_length_b 7.08418000
_cell_length_c 7.08418000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,707 | 4,437 | mp-865280 | -0.37576 | 0.3314 | NbAlFe2 | 0 | ['Nb', 'Al', 'Fe'] | # generated using pymatgen
data_NbAlFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19870107
_cell_length_b 4.19870107
_cell_length_c 4.19870107
_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_NbAlFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93786000
_cell_length_b 5.93786000
_cell_length_c 5.93786000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,708 | 26,284 | mp-12736 | -0.592507 | 0 | TbB2Rh2C | 0.010494 | ['Tb', 'B', 'Rh', 'C'] | # generated using pymatgen
data_TbB2Rh2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82374975
_cell_length_b 5.82374975
_cell_length_c 5.82374975
_cell_angle_alpha 141.78009596
_cell_angle_beta 141.78009596
_cell_angle_gamma 55.16018613
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 139 | 139 | # generated using pymatgen
data_TbB2Rh2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.81318200
_cell_length_b 3.81318200
_cell_length_c 10.32393000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,709 | 3,646 | mp-1207093 | -0.280171 | 0 | LuRu3C | 0 | ['C', 'Lu', 'Ru'] | # generated using pymatgen
data_LuRu3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13115300
_cell_length_b 4.13115300
_cell_length_c 4.13115300
_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_LuRu3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13115300
_cell_length_b 4.13115300
_cell_length_c 4.13115300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,710 | 28,842 | mp-30241 | -2.6368 | 3.8709 | Mg5(HO3)2 | 0.015081 | ['H', 'Mg', 'O'] | # generated using pymatgen
data_Mg5(HO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.04730205
_cell_length_b 3.04730205
_cell_length_c 14.81210100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000103
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 164 | 164 | # generated using pymatgen
data_Mg5(HO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.04730205
_cell_length_b 3.04730205
_cell_length_c 14.81210100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,711 | 19,054 | mp-1095625 | -1.180739 | 0.0305 | TmAsPd | 0 | ['As', 'Pd', 'Tm'] | # generated using pymatgen
data_TmAsPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10294500
_cell_length_b 6.96928800
_cell_length_c 7.91659500
_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_TmAsPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.10294500
_cell_length_b 6.96928800
_cell_length_c 7.91659500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,712 | 9,993 | mp-989567 | -2.70782 | 3.8708 | Cs2RbTlF6 | 0 | ['Cs', 'F', 'Rb', 'Tl'] | # generated using pymatgen
data_Cs2RbTlF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.91695389
_cell_length_b 6.91695389
_cell_length_c 6.91695389
_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_Cs2RbTlF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.78205000
_cell_length_b 9.78205000
_cell_length_c 9.78205000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,713 | 5,519 | mp-10341 | -2.273524 | 2.9719 | SrGeTeO6 | 0 | ['Ge', 'O', 'Sr', 'Te'] | # generated using pymatgen
data_SrGeTeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.14922778
_cell_length_b 5.14922778
_cell_length_c 5.49372000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999713
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 149 | 149 | # generated using pymatgen
data_SrGeTeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.14922778
_cell_length_b 5.14922778
_cell_length_c 5.49372000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,714 | 25,633 | mp-1187353 | -0.261685 | 0 | TbNbRu2 | 0.009487 | ['Nb', 'Ru', 'Tb'] | # generated using pymatgen
data_TbNbRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64949862
_cell_length_b 4.64949862
_cell_length_c 4.64949862
_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_TbNbRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.57538401
_cell_length_b 6.57538401
_cell_length_c 6.57538401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,715 | 33,502 | mp-1016 | -0.333888 | 0 | PuGe2 | 0.03035 | ['Ge', 'Pu'] | # generated using pymatgen
data_PuGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.51088431
_cell_length_b 8.51088431
_cell_length_c 8.51088431
_cell_angle_alpha 152.53992083
_cell_angle_beta 152.53992083
_cell_angle_gamma 39.22535860
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 141 | 141 | # generated using pymatgen
data_PuGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04007400
_cell_length_b 4.04007400
_cell_length_c 16.03422000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,716 | 720 | mp-19276 | -2.654554 | 4.0973 | BaMoO4 | 0 | ['Ba', 'Mo', 'O'] | # generated using pymatgen
data_BaMoO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.68269301
_cell_length_b 7.68269301
_cell_length_c 7.68269301
_cell_angle_alpha 136.42271533
_cell_angle_beta 136.42271533
_cell_angle_gamma 63.32748340
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 88 | 88 | # generated using pymatgen
data_BaMoO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.70338200
_cell_length_b 5.70338200
_cell_length_c 13.07814800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,717 | 31,020 | mp-1071956 | -2.462746 | 0.6581 | TiNF | 0.022458 | ['F', 'N', 'Ti'] | # generated using pymatgen
data_TiNF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.06200400
_cell_length_b 3.96438700
_cell_length_c 7.87082600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti... | 59 | 59 | # generated using pymatgen
data_TiNF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.06200400
_cell_length_b 3.96438700
_cell_length_c 7.87082600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti... |
26,718 | 38,059 | mp-1111240 | -1.479784 | 2.5909 | K2NaAsBr6 | 0.045852 | ['As', 'Br', 'K', 'Na'] | # generated using pymatgen
data_K2NaAsBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.84941702
_cell_length_b 7.84941702
_cell_length_c 7.84941702
_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_K2NaAsBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.10075201
_cell_length_b 11.10075201
_cell_length_c 11.10075201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,719 | 23,712 | mp-1222890 | -0.809236 | 0 | LaFeSi2Rh | 0.005221 | ['Fe', 'La', 'Rh', 'Si'] | # generated using pymatgen
data_LaFeSi2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84076570
_cell_length_b 5.84076570
_cell_length_c 5.84076570
_cell_angle_alpha 138.74830197
_cell_angle_beta 138.74830197
_cell_angle_gamma 59.75885055
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 119 | 119 | # generated using pymatgen
data_LaFeSi2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11498200
_cell_length_b 4.11498200
_cell_length_c 10.12877200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,720 | 29,561 | mp-1104975 | -0.098975 | 0 | Lu(FeSn)6 | 0.018302 | ['Fe', 'Lu', 'Sn'] | # generated using pymatgen
data_Lu(FeSn)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41246732
_cell_length_b 5.41246732
_cell_length_c 8.93780600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999169
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 191 | 191 | # generated using pymatgen
data_Lu(FeSn)6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41246732
_cell_length_b 5.41246732
_cell_length_c 8.93780600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,721 | 10,051 | mp-1101950 | -0.648106 | 0 | SbPtSe | 0 | ['Pt', 'Sb', 'Se'] | # generated using pymatgen
data_SbPtSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43156500
_cell_length_b 6.43156500
_cell_length_c 6.43156500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 198 | 198 | # generated using pymatgen
data_SbPtSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43156500
_cell_length_b 6.43156500
_cell_length_c 6.43156500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,722 | 29,132 | mp-1187444 | -0.735835 | 0 | Ti2RuRh | 0.016409 | ['Rh', 'Ru', 'Ti'] | # generated using pymatgen
data_Ti2RuRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.38154050
_cell_length_b 4.38154050
_cell_length_c 4.38154050
_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_Ti2RuRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.19643400
_cell_length_b 6.19643400
_cell_length_c 6.19643400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,723 | 7,990 | mp-9939 | -0.650943 | 0 | Hf2Ge | 0 | ['Hf', 'Ge'] | # generated using pymatgen
data_Hf2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39128079
_cell_length_b 5.39128079
_cell_length_c 5.39128079
_cell_angle_alpha 103.97029664
_cell_angle_beta 103.97029664
_cell_angle_gamma 121.14209715
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 140 | 140 | # generated using pymatgen
data_Hf2Ge
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.64061000
_cell_length_b 6.64061000
_cell_length_c 5.29794600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural H... |
26,724 | 4,863 | mp-4190 | -2.679684 | 2.9225 | CaSnO3 | 0 | ['Ca', 'O', 'Sn'] | # generated using pymatgen
data_CaSnO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08188842
_cell_length_b 6.08188842
_cell_length_c 6.08188849
_cell_angle_alpha 54.51346515
_cell_angle_beta 54.51346515
_cell_angle_gamma 54.51345697
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 148 | 148 | # generated using pymatgen
data_CaSnO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57074640
_cell_length_b 5.57074640
_cell_length_c 15.48562729
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,725 | 43,473 | mp-977439 | -0.250563 | 0 | Ce2ZnPb | 0.068753 | ['Ce', 'Zn', 'Pb'] | # generated using pymatgen
data_Ce2ZnPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39463360
_cell_length_b 5.39463360
_cell_length_c 5.39463360
_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_Ce2ZnPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.62916400
_cell_length_b 7.62916400
_cell_length_c 7.62916400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,726 | 9,319 | mp-33444 | -2.382238 | 0 | Sr5(BiO4)3 | 0 | ['Bi', 'O', 'Sr'] | # generated using pymatgen
data_Sr5(BiO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02723700
_cell_length_b 6.20551051
_cell_length_c 8.57717302
_cell_angle_alpha 89.46776225
_cell_angle_beta 89.85294564
_cell_angle_gamma 89.91702256
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 2 | 2 | # generated using pymatgen
data_Sr5(BiO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.02723700
_cell_length_b 6.20551051
_cell_length_c 8.57717302
_cell_angle_alpha 89.46776225
_cell_angle_beta 89.85294564
_cell_angle_gamma 89.91702256
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,727 | 317 | mp-30587 | -0.109727 | 0 | MgInCu4 | 0 | ['Mg', 'In', 'Cu'] | # generated using pymatgen
data_MgInCu4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99542374
_cell_length_b 4.99542374
_cell_length_c 4.99542374
_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_MgInCu4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.06459600
_cell_length_b 7.06459600
_cell_length_c 7.06459600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,728 | 41,573 | mp-1112034 | -1.780152 | 2.3589 | K2YCuBr6 | 0.063106 | ['Br', 'Cu', 'K', 'Y'] | # generated using pymatgen
data_K2YCuBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.73418689
_cell_length_b 7.73418689
_cell_length_c 7.73418689
_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_K2YCuBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.93779199
_cell_length_b 10.93779199
_cell_length_c 10.93779199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,729 | 14,895 | mp-570800 | -1.350326 | 0 | U2MnN3 | 0 | ['Mn', 'N', 'U'] | # generated using pymatgen
data_U2MnN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31151790
_cell_length_b 3.75140897
_cell_length_c 6.55246746
_cell_angle_alpha 106.62935580
_cell_angle_beta 104.64124698
_cell_angle_gamma 89.99981545
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 71 | 71 | # generated using pymatgen
data_U2MnN3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31151790
_cell_length_b 3.75140897
_cell_length_c 12.11204598
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,730 | 26,601 | mp-1184837 | -0.04746 | 0 | HoMg2Sc | 0.01094 | ['Ho', 'Mg', 'Sc'] | # generated using pymatgen
data_HoMg2Sc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.21836178
_cell_length_b 5.21836178
_cell_length_c 5.21836178
_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_HoMg2Sc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.37987800
_cell_length_b 7.37987800
_cell_length_c 7.37987800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,731 | 30,791 | mp-166 | 0.021218 | 0 | Ca | 0.021218 | ['Ca'] | # generated using pymatgen
data_Ca
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80522591
_cell_length_b 3.80522591
_cell_length_c 3.80522591
_cell_angle_alpha 107.68834408
_cell_angle_beta 107.68834408
_cell_angle_gamma 113.09902716
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | 139 | 139 | # generated using pymatgen
data_Ca
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49004000
_cell_length_b 4.49004000
_cell_length_c 4.19500400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca
_... |
26,732 | 36,214 | mp-1221468 | 0.027729 | 0 | Mo6OsRu | 0.037913 | ['Mo', 'Os', 'Ru'] | # generated using pymatgen
data_Mo6OsRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00238200
_cell_length_b 5.00238200
_cell_length_c 5.00238200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 200 | 200 | # generated using pymatgen
data_Mo6OsRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00238200
_cell_length_b 5.00238200
_cell_length_c 5.00238200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,733 | 11,666 | mp-1216640 | -0.374534 | 0 | TiZnGa2 | 0 | ['Ga', 'Ti', 'Zn'] | # generated using pymatgen
data_TiZnGa2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97420400
_cell_length_b 3.97420400
_cell_length_c 3.87673700
_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_TiZnGa2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97420400
_cell_length_b 3.97420400
_cell_length_c 3.87673700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,734 | 22,061 | mp-1106079 | -0.733859 | 0 | Tb2Co3Si5 | 0.002505 | ['Co', 'Si', 'Tb'] | # generated using pymatgen
data_Tb2Co3Si5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.92304304
_cell_length_b 7.92304304
_cell_length_c 7.92304304
_cell_angle_alpha 138.98434489
_cell_angle_beta 105.44779533
_cell_angle_gamma 88.80297231
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 72 | 72 | # generated using pymatgen
data_Tb2Co3Si5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55144400
_cell_length_b 9.59728600
_cell_length_c 11.32130800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,735 | 1,012 | mp-1025389 | -0.653516 | 0 | LuAl2Ni | 0 | ['Al', 'Lu', 'Ni'] | # generated using pymatgen
data_LuAl2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33359331
_cell_length_b 5.33359331
_cell_length_c 6.86459600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 135.64123448
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_LuAl2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02694400
_cell_length_b 9.87788400
_cell_length_c 6.86459600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,736 | 5,363 | mp-510546 | -2.478405 | 0 | Sr2CoMoO6 | 0 | ['Co', 'Mo', 'O', 'Sr'] | # generated using pymatgen
data_Sr2CoMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64573484
_cell_length_b 9.81087245
_cell_length_c 5.67006749
_cell_angle_alpha 90.23915460
_cell_angle_beta 60.11654328
_cell_angle_gamma 106.67162780
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 225 | 225 | # generated using pymatgen
data_Sr2CoMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.01246999
_cell_length_b 8.01246999
_cell_length_c 8.01246999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,737 | 43,457 | mp-781767 | -1.508179 | 0 | Li3Fe2(CuO4)2 | 0.070105 | ['Cu', 'Fe', 'Li', 'O'] | # generated using pymatgen
data_Li3Fe2(CuO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58295400
_cell_length_b 5.69707365
_cell_length_c 6.23165968
_cell_angle_alpha 116.93651289
_cell_angle_beta 115.79939652
_cell_angle_gamma 89.91930217
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | 2 | 2 | # generated using pymatgen
data_Li3Fe2(CuO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58295400
_cell_length_b 5.69707365
_cell_length_c 6.23165968
_cell_angle_alpha 116.93651289
_cell_angle_beta 115.79939652
_cell_angle_gamma 89.91930217
_symmetry_Int_Tables_number 1
_chemical_formula_stru... |
26,738 | 7,251 | mp-20724 | -0.056426 | 0 | Mg2Pb | 0 | ['Mg', 'Pb'] | # generated using pymatgen
data_Mg2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89135600
_cell_length_b 4.89135600
_cell_length_c 4.89135600
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | 225 | 225 | # generated using pymatgen
data_Mg2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.91742199
_cell_length_b 6.91742199
_cell_length_c 6.91742199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... |
26,739 | 26,570 | mp-1114416 | -2.936023 | 5.0013 | Rb2LiBiF6 | 0.01154 | ['Bi', 'F', 'Li', 'Rb'] | # generated using pymatgen
data_Rb2LiBiF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.26018745
_cell_length_b 6.26018745
_cell_length_c 6.26018745
_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_Rb2LiBiF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.85324199
_cell_length_b 8.85324199
_cell_length_c 8.85324199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,740 | 39,848 | mp-36310 | -1.154103 | 0 | Al2CrS4 | 0.052796 | ['Al', 'Cr', 'S'] | # generated using pymatgen
data_Al2CrS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.11322731
_cell_length_b 7.11322731
_cell_length_c 7.11322731
_cell_angle_alpha 120.50298341
_cell_angle_beta 119.24200488
_cell_angle_gamma 90.22444446
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 74 | 74 | # generated using pymatgen
data_Al2CrS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.05908000
_cell_length_b 7.19456800
_cell_length_c 10.03990000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,741 | 28,688 | mp-1216754 | -0.739741 | 2.773 | TlCNO | 0.015793 | ['C', 'N', 'O', 'Tl'] | # generated using pymatgen
data_TlCNO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.81263481
_cell_length_b 5.81263481
_cell_length_c 5.81263481
_cell_angle_alpha 113.98022560
_cell_angle_beta 113.86261713
_cell_angle_gamma 100.89639624
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 46 | 46 | # generated using pymatgen
data_TlCNO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.33325799
_cell_length_b 6.34325999
_cell_length_c 7.40268799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... |
26,742 | 25,360 | mp-5410 | -0.425021 | 0 | SmCo3B2 | 0.008617 | ['Sm', 'Co', 'B'] | # generated using pymatgen
data_SmCo3B2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05890367
_cell_length_b 5.05890367
_cell_length_c 3.02532800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999570
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 191 | 191 | # generated using pymatgen
data_SmCo3B2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05890367
_cell_length_b 5.05890367
_cell_length_c 3.02532800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,743 | 12,703 | mp-1264 | -0.130134 | 0 | CdAu3 | 0 | ['Cd', 'Au'] | # generated using pymatgen
data_CdAu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21592400
_cell_length_b 4.21592400
_cell_length_c 4.21592400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | 221 | 221 | # generated using pymatgen
data_CdAu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21592400
_cell_length_b 4.21592400
_cell_length_c 4.21592400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... |
26,744 | 14,511 | mp-1025272 | -0.408177 | 0 | ZnPPt5 | 0 | ['Zn', 'P', 'Pt'] | # generated using pymatgen
data_ZnPPt5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92879300
_cell_length_b 3.92879300
_cell_length_c 6.99563900
_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_ZnPPt5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92879300
_cell_length_b 3.92879300
_cell_length_c 6.99563900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,745 | 34,611 | mp-1178577 | -2.534271 | 2.1124 | AlFeO3 | 0.032553 | ['Al', 'Fe', 'O'] | # generated using pymatgen
data_AlFeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96358685
_cell_length_b 4.96334870
_cell_length_c 9.49449421
_cell_angle_alpha 105.15160027
_cell_angle_beta 90.00137238
_cell_angle_gamma 119.99849084
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 148 | 148 | # generated using pymatgen
data_AlFeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96358393
_cell_length_b 4.96358393
_cell_length_c 13.57758650
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,746 | 41,683 | mp-1217959 | -1.014357 | 0 | TaCuS2 | 0.061827 | ['Cu', 'S', 'Ta'] | # generated using pymatgen
data_TaCuS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.37109483
_cell_length_b 3.37109483
_cell_length_c 13.33130000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001627
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 186 | 186 | # generated using pymatgen
data_TaCuS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.37109483
_cell_length_b 3.37109483
_cell_length_c 13.33130000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,747 | 3,343 | mp-3776 | -0.377887 | 0 | Er2Mo2C3 | 0 | ['C', 'Er', 'Mo'] | # generated using pymatgen
data_Er2Mo2C3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.05543502
_cell_length_b 6.05543502
_cell_length_c 5.68890467
_cell_angle_alpha 69.04651267
_cell_angle_beta 69.04651267
_cell_angle_gamma 31.90496361
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_Er2Mo2C3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.64448001
_cell_length_b 3.32855200
_cell_length_c 5.68890467
_cell_angle_alpha 90.00000000
_cell_angle_beta 111.83488660
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,748 | 33,723 | mp-1219744 | 0.029158 | 0 | PrY | 0.029158 | ['Pr', 'Y'] | # generated using pymatgen
data_PrY
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 17.79521316
_cell_length_b 17.79521316
_cell_length_c 17.79521375
_cell_angle_alpha 11.83638292
_cell_angle_beta 11.83638292
_cell_angle_gamma 11.83638242
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 160 | 160 | # generated using pymatgen
data_PrY
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.66967011
_cell_length_b 3.66967011
_cell_length_c 53.00591598
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... |
26,749 | 25,907 | mp-570298 | -0.60944 | 0 | Ba(SbAu)2 | 0.009093 | ['Au', 'Ba', 'Sb'] | # generated using pymatgen
data_Ba(SbAu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87505700
_cell_length_b 4.99508200
_cell_length_c 11.30465305
_cell_angle_alpha 88.75749129
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 11 | 11 | # generated using pymatgen
data_Ba(SbAu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99508200
_cell_length_b 4.87505700
_cell_length_c 11.30465305
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.24250871
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,750 | 4,687 | mp-1223366 | -0.983382 | 0.2194 | KZrCuTe3 | 0 | ['Cu', 'K', 'Te', 'Zr'] | # generated using pymatgen
data_KZrCuTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20593600
_cell_length_b 8.13900832
_cell_length_c 11.13107500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 75.02596085
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 36 | 36 | # generated using pymatgen
data_KZrCuTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.20593600
_cell_length_b 15.72526401
_cell_length_c 11.13107500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,751 | 15,512 | mp-1023928 | -1.054189 | 1.2829 | MoWSe4 | 0 | ['Mo', 'Se', 'W'] | # generated using pymatgen
data_MoWSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32287684
_cell_length_b 3.32287684
_cell_length_c 23.61932200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001673
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 156 | 156 | # generated using pymatgen
data_MoWSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32287684
_cell_length_b 3.32287684
_cell_length_c 23.61932200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,752 | 9,812 | mp-28843 | -0.461578 | 0.0748 | Tl2SnTe5 | 0 | ['Tl', 'Sn', 'Te'] | # generated using pymatgen
data_Tl2SnTe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.76328924
_cell_length_b 9.76328924
_cell_length_c 9.76328924
_cell_angle_alpha 128.07721975
_cell_angle_beta 128.07721975
_cell_angle_gamma 76.49996857
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 140 | 140 | # generated using pymatgen
data_Tl2SnTe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.54806000
_cell_length_b 8.54806000
_cell_length_c 15.33455600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,753 | 28,273 | mp-1228522 | -1.23436 | 3.5602 | Al2Zn2S5 | 0.013899 | ['Al', 'S', 'Zn'] | # generated using pymatgen
data_Al2Zn2S5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.19710700
_cell_length_b 6.57637000
_cell_length_c 9.99316704
_cell_angle_alpha 70.81608386
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 4 | 4 | # generated using pymatgen
data_Al2Zn2S5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.57637000
_cell_length_b 6.19710700
_cell_length_c 9.99316704
_cell_angle_alpha 90.00000000
_cell_angle_beta 109.18391614
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,754 | 7,733 | mp-1743 | -0.285095 | 0 | Mo5As4 | 0 | ['Mo', 'As'] | # generated using pymatgen
data_Mo5As4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.04780606
_cell_length_b 7.04780606
_cell_length_c 7.04780606
_cell_angle_alpha 93.14228545
_cell_angle_beta 93.14228545
_cell_angle_gamma 152.91959189
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 87 | 87 | # generated using pymatgen
data_Mo5As4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.69007600
_cell_length_b 9.69007600
_cell_length_c 3.30017200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,755 | 23,190 | mp-1219173 | -2.292978 | 0 | Sm4EuS5 | 0.004468 | ['Eu', 'S', 'Sm'] | # generated using pymatgen
data_Sm4EuS5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 16.47339421
_cell_length_b 16.47339421
_cell_length_c 16.47339470
_cell_angle_alpha 14.10050223
_cell_angle_beta 14.10050223
_cell_angle_gamma 14.10050071
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 166 | 166 | # generated using pymatgen
data_Sm4EuS5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04388225
_cell_length_b 4.04388225
_cell_length_c 48.92131996
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,756 | 38,912 | mp-754964 | -3.868327 | 4.081 | HfZrO4 | 0.048387 | ['Hf', 'O', 'Zr'] | # generated using pymatgen
data_HfZrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.35415935
_cell_length_b 6.35415935
_cell_length_c 6.35415935
_cell_angle_alpha 132.59500176
_cell_angle_beta 132.59500176
_cell_angle_gamma 69.29089418
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 88 | 88 | # generated using pymatgen
data_HfZrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10858800
_cell_length_b 5.10858800
_cell_length_c 10.45495200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,757 | 7,561 | mp-1103548 | -0.902077 | 0 | Ce3(SiPd)4 | 0 | ['Ce', 'Pd', 'Si'] | # generated using pymatgen
data_Ce3(SiPd)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.69671955
_cell_length_b 12.69671955
_cell_length_c 12.69671955
_cell_angle_alpha 161.42310476
_cell_angle_beta 160.85384781
_cell_angle_gamma 26.80048730
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | 71 | 71 | # generated using pymatgen
data_Ce3(SiPd)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09862400
_cell_length_b 4.22306600
_cell_length_c 24.70210000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,758 | 35,873 | mp-622108 | -2.196327 | 0 | Ba2TmCu3O7 | 0.036008 | ['Ba', 'Cu', 'O', 'Tm'] | # generated using pymatgen
data_Ba2TmCu3O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82193800
_cell_length_b 3.92593400
_cell_length_c 11.73833000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 47 | 47 | # generated using pymatgen
data_Ba2TmCu3O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82193800
_cell_length_b 3.92593400
_cell_length_c 11.73833000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,759 | 27,262 | mp-1226513 | -0.673159 | 0 | CeGa3Pd | 0.012171 | ['Ce', 'Ga', 'Pd'] | # generated using pymatgen
data_CeGa3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31132700
_cell_length_b 4.31132700
_cell_length_c 6.11454812
_cell_angle_alpha 69.35684561
_cell_angle_beta 69.35684561
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 107 | 107 | # generated using pymatgen
data_CeGa3Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31132700
_cell_length_b 4.31132700
_cell_length_c 10.60074200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,760 | 11,930 | mp-7943 | -0.486302 | 0.3574 | LiAs | 0 | ['As', 'Li'] | # generated using pymatgen
data_LiAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28096500
_cell_length_b 5.82542700
_cell_length_c 10.77639745
_cell_angle_alpha 62.03669048
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | 14 | 14 | # generated using pymatgen
data_LiAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82542700
_cell_length_b 5.28096500
_cell_length_c 10.77639745
_cell_angle_alpha 90.00000000
_cell_angle_beta 117.96330952
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,761 | 9,740 | mp-1569 | -0.231922 | 1.4433 | Be2C | 0 | ['Be', 'C'] | # generated using pymatgen
data_Be2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.06016582
_cell_length_b 3.06016582
_cell_length_c 3.06016582
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be... | 225 | 225 | # generated using pymatgen
data_Be2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32772801
_cell_length_b 4.32772801
_cell_length_c 4.32772801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be... |
26,762 | 35,715 | mp-1219034 | -0.458903 | 0 | Sn2Sb4Pt3 | 0.037431 | ['Pt', 'Sb', 'Sn'] | # generated using pymatgen
data_Sn2Sb4Pt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94610300
_cell_length_b 8.56340183
_cell_length_c 13.03201807
_cell_angle_alpha 98.55492419
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 6 | 6 | # generated using pymatgen
data_Sn2Sb4Pt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.56340183
_cell_length_b 3.94610300
_cell_length_c 13.03201807
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.55492419
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,763 | 40,280 | mp-1432 | 0.041493 | 0 | Be2B | 0.055423 | ['Be', 'B'] | # generated using pymatgen
data_Be2B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.23126020
_cell_length_b 3.23126020
_cell_length_c 3.23126020
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be... | 225 | 225 | # generated using pymatgen
data_Be2B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56969200
_cell_length_b 4.56969200
_cell_length_c 4.56969200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be... |
26,764 | 37,615 | mp-1183660 | 0.044094 | 0 | CdPb3 | 0.044094 | ['Cd', 'Pb'] | # generated using pymatgen
data_CdPb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24035788
_cell_length_b 6.24035788
_cell_length_c 6.24035788
_cell_angle_alpha 134.69381166
_cell_angle_beta 134.69381166
_cell_angle_gamma 66.00632107
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 139 | 139 | # generated using pymatgen
data_CdPb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80695600
_cell_length_b 4.80695600
_cell_length_c 10.46683400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,765 | 35,709 | mp-1218521 | -3.0237 | 0 | Sr3TaFeO7 | 0.037195 | ['Fe', 'O', 'Sr', 'Ta'] | # generated using pymatgen
data_Sr3TaFeO7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.01877608
_cell_length_b 11.01877608
_cell_length_c 11.01877608
_cell_angle_alpha 159.13731834
_cell_angle_beta 159.13731834
_cell_angle_gamma 29.67203222
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | 107 | 107 | # generated using pymatgen
data_Sr3TaFeO7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99005600
_cell_length_b 3.99005600
_cell_length_c 21.30287801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,766 | 35,233 | mp-1222428 | -0.08399 | 0 | Lu(VFe5)2 | 0.035373 | ['Fe', 'Lu', 'V'] | # generated using pymatgen
data_Lu(VFe5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68365100
_cell_length_b 6.39451030
_cell_length_c 6.39451030
_cell_angle_alpha 97.29768702
_cell_angle_beta 111.48295671
_cell_angle_gamma 68.51704329
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 71 | 71 | # generated using pymatgen
data_Lu(VFe5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68365100
_cell_length_b 8.38039000
_cell_length_c 8.44935000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,767 | 20,698 | mp-1222789 | -0.438664 | 0 | LaPrAl6 | 0.000971 | ['Al', 'La', 'Pr'] | # generated using pymatgen
data_LaPrAl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.60677390
_cell_length_b 6.60677390
_cell_length_c 4.63230700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999895
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 187 | 187 | # generated using pymatgen
data_LaPrAl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.60677390
_cell_length_b 6.60677390
_cell_length_c 4.63230700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,768 | 42,999 | mp-1004753 | -0.190574 | 0 | PrB12 | 0.06963 | ['B', 'Pr'] | # generated using pymatgen
data_PrB12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37068389
_cell_length_b 5.37068389
_cell_length_c 5.37068389
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | 225 | 225 | # generated using pymatgen
data_PrB12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.59529400
_cell_length_b 7.59529400
_cell_length_c 7.59529400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... |
26,769 | 27,519 | mp-1030335 | -0.459287 | 1.7228 | Te4MoW | 0.012671 | ['Mo', 'Te', 'W'] | # generated using pymatgen
data_Te4MoW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55890153
_cell_length_b 3.55890153
_cell_length_c 40.11263800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999128
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 156 | 156 | # generated using pymatgen
data_Te4MoW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55890153
_cell_length_b 3.55890153
_cell_length_c 40.11263800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,770 | 26,019 | mp-1078458 | -2.026853 | 0 | CrFeO3 | 0.009989 | ['Cr', 'Fe', 'O'] | # generated using pymatgen
data_CrFeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10056582
_cell_length_b 5.10063200
_cell_length_c 5.46607080
_cell_angle_alpha 62.18776832
_cell_angle_beta 117.81215092
_cell_angle_gamma 119.99891210
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 148 | 148 | # generated using pymatgen
data_CrFeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10059891
_cell_length_b 5.10059891
_cell_length_c 13.81485599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,771 | 38,209 | mp-1221706 | -0.724076 | 0 | Mn4CdS5 | 0.045955 | ['Cd', 'Mn', 'S'] | # generated using pymatgen
data_Mn4CdS5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.29788931
_cell_length_b 15.29788931
_cell_length_c 15.29788969
_cell_angle_alpha 13.86102784
_cell_angle_beta 13.86102784
_cell_angle_gamma 13.86102809
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 166 | 166 | # generated using pymatgen
data_Mn4CdS5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.69185598
_cell_length_b 3.69185598
_cell_length_c 45.44600521
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,772 | 9,764 | mp-20363 | -0.622667 | 0 | LiGa2Pt | 0 | ['Li', 'Ga', 'Pt'] | # generated using pymatgen
data_LiGa2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36346685
_cell_length_b 4.36346685
_cell_length_c 4.36346685
_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_LiGa2Pt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.17087400
_cell_length_b 6.17087400
_cell_length_c 6.17087400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,773 | 22,711 | mp-1223887 | -0.219064 | 0.0225 | In4As3P | 0.003881 | ['As', 'In', 'P'] | # generated using pymatgen
data_In4As3P
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35268630
_cell_length_b 6.07306200
_cell_length_c 8.73272774
_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_In4As3P
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35268630
_cell_length_b 6.07306200
_cell_length_c 8.73272774
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,774 | 32,930 | mp-755524 | -2.48738 | 3.059 | Li2AlFeO4 | 0.026532 | ['Al', 'Fe', 'Li', 'O'] | # generated using pymatgen
data_Li2AlFeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03221000
_cell_length_b 5.55062800
_cell_length_c 6.27552200
_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_Li2AlFeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03221000
_cell_length_b 5.55062800
_cell_length_c 6.27552200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,775 | 28,702 | mp-1218473 | -2.446325 | 0 | Sr3Ca(CuO3)2 | 0.015689 | ['Ca', 'Cu', 'O', 'Sr'] | # generated using pymatgen
data_Sr3Ca(CuO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.80543418
_cell_length_b 6.80543418
_cell_length_c 6.96655439
_cell_angle_alpha 75.18252700
_cell_angle_beta 75.18252700
_cell_angle_gamma 33.62898999
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 8 | 8 | # generated using pymatgen
data_Sr3Ca(CuO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.02895400
_cell_length_b 3.93727000
_cell_length_c 6.96655439
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.49550492
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struc... |
26,776 | 3,489 | mp-977382 | -0.277455 | 0 | Ta2VRu | 0 | ['Ta', 'V', 'Ru'] | # generated using pymatgen
data_Ta2VRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.47427897
_cell_length_b 4.47427897
_cell_length_c 4.47427897
_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_Ta2VRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.32758600
_cell_length_b 6.32758600
_cell_length_c 6.32758600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,777 | 8,304 | mp-30247 | -2.009506 | 4.1944 | Mg(HO)2 | 0 | ['Mg', 'H', 'O'] | # generated using pymatgen
data_Mg(HO)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.18589028
_cell_length_b 3.18589028
_cell_length_c 4.78161800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000587
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_Mg(HO)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.18589028
_cell_length_b 3.18589028
_cell_length_c 4.78161800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,778 | 16,184 | mp-12622 | -2.86641 | 1.2023 | SrPdF4 | 0 | ['Sr', 'Pd', 'F'] | # generated using pymatgen
data_SrPdF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84298388
_cell_length_b 6.84298388
_cell_length_c 6.84298388
_cell_angle_alpha 128.64837220
_cell_angle_beta 128.64837220
_cell_angle_gamma 75.57701946
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 140 | 140 | # generated using pymatgen
data_SrPdF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.92983800
_cell_length_b 5.92983800
_cell_length_c 10.81571801
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,779 | 16,829 | mp-2920 | -3.722193 | 4.1049 | LaAlO3 | 0 | ['La', 'Al', 'O'] | # generated using pymatgen
data_LaAlO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39321428
_cell_length_b 5.39321428
_cell_length_c 5.39321442
_cell_angle_alpha 60.22322653
_cell_angle_beta 60.22322653
_cell_angle_gamma 60.22321289
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 167 | 167 | # generated using pymatgen
data_LaAlO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41140059
_cell_length_b 5.41140059
_cell_length_c 13.18829298
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,780 | 36,895 | mp-6982 | -0.578088 | 0 | ErB2Rh2C | 0.040683 | ['Er', 'B', 'Rh', 'C'] | # generated using pymatgen
data_ErB2Rh2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82358595
_cell_length_b 5.82358595
_cell_length_c 5.82358595
_cell_angle_alpha 142.03847992
_cell_angle_beta 142.03847992
_cell_angle_gamma 54.77084055
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 139 | 139 | # generated using pymatgen
data_ErB2Rh2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78825000
_cell_length_b 3.78825000
_cell_length_c 10.34190201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,781 | 7,129 | mp-1205845 | -3.618614 | 0.857 | Ba2GdUO6 | 0 | ['Ba', 'Gd', 'O', 'U'] | # generated using pymatgen
data_Ba2GdUO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.27071203
_cell_length_b 6.27071203
_cell_length_c 6.27071203
_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_Ba2GdUO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.86812600
_cell_length_b 8.86812600
_cell_length_c 8.86812600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,782 | 37,049 | mp-1096915 | 0.042209 | 0 | Cs | 0.042209 | ['Cs'] | # generated using pymatgen
data_Cs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.28524519
_cell_length_b 5.28524519
_cell_length_c 5.11005811
_cell_angle_alpha 73.27175167
_cell_angle_beta 73.27175167
_cell_angle_gamma 110.33001882
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cs
... | 12 | 12 | # generated using pymatgen
data_Cs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03802201
_cell_length_b 8.67626401
_cell_length_c 5.11005811
_cell_angle_alpha 90.00000000
_cell_angle_beta 120.25806989
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cs
... |
26,783 | 32,772 | mp-1227092 | -3.572301 | 2.7112 | CaGdAlO4 | 0.026641 | ['Al', 'Ca', 'Gd', 'O'] | # generated using pymatgen
data_CaGdAlO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.52906085
_cell_length_b 6.52906085
_cell_length_c 6.52906085
_cell_angle_alpha 147.12550421
_cell_angle_beta 147.12550421
_cell_angle_gamma 47.17798863
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 107 | 107 | # generated using pymatgen
data_CaGdAlO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.69499200
_cell_length_b 3.69499200
_cell_length_c 11.96698001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,784 | 35,842 | mp-32654 | -1.443794 | 0 | Sc2Te3 | 0.0367 | ['Sc', 'Te'] | # generated using pymatgen
data_Sc2Te3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19981612
_cell_length_b 7.19981612
_cell_length_c 7.12119136
_cell_angle_alpha 80.40209440
_cell_angle_beta 80.40209440
_cell_angle_gamma 119.72862806
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_Sc2Te3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.22932800
_cell_length_b 12.45336201
_cell_length_c 7.12119136
_cell_angle_alpha 90.00000000
_cell_angle_beta 109.39653695
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,785 | 43,334 | mp-675634 | -2.790915 | 4.7189 | KBi2F7 | 0.069186 | ['K', 'Bi', 'F'] | # generated using pymatgen
data_KBi2F7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98382400
_cell_length_b 4.32703479
_cell_length_c 10.77669175
_cell_angle_alpha 88.64812383
_cell_angle_beta 87.25237130
_cell_angle_gamma 63.04427272
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 1 | 1 | # generated using pymatgen
data_KBi2F7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98382400
_cell_length_b 4.32703479
_cell_length_c 10.77669175
_cell_angle_alpha 88.64812383
_cell_angle_beta 87.25237130
_cell_angle_gamma 63.04427272
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,786 | 32,669 | mp-1215944 | -2.801615 | 2.9968 | Zr2Ti(PbO3)3 | 0.025782 | ['O', 'Pb', 'Ti', 'Zr'] | # generated using pymatgen
data_Zr2Ti(PbO3)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.24351882
_cell_length_b 9.24351882
_cell_length_c 4.22699455
_cell_angle_alpha 89.57815239
_cell_angle_beta 89.57815239
_cell_angle_gamma 142.77031171
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 8 | 8 | # generated using pymatgen
data_Zr2Ti(PbO3)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.90115200
_cell_length_b 17.51990199
_cell_length_c 4.22699455
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.32166293
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
26,787 | 25,167 | mp-1210154 | -0.581877 | 0 | Nd3Ni3Bi4 | 0.008602 | ['Bi', 'Nd', 'Ni'] | # generated using pymatgen
data_Nd3Ni3Bi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.52542081
_cell_length_b 8.52542081
_cell_length_c 8.52542081
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 220 | 220 | # generated using pymatgen
data_Nd3Ni3Bi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.84430800
_cell_length_b 9.84430800
_cell_length_c 9.84430800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,788 | 17,743 | mp-16319 | -0.395675 | 0.0878 | Rb3Sb | 0 | ['Rb', 'Sb'] | # generated using pymatgen
data_Rb3Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43046967
_cell_length_b 6.43046967
_cell_length_c 11.38389300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999663
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_Rb3Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43046967
_cell_length_b 6.43046967
_cell_length_c 11.38389300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,789 | 4,564 | mp-1102456 | -0.62835 | 0 | PuSb2 | 0 | ['Pu', 'Sb'] | # generated using pymatgen
data_PuSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.40595066
_cell_length_b 4.40595066
_cell_length_c 17.15059000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.07039956
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 64 | 64 | # generated using pymatgen
data_PuSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.22712600
_cell_length_b 6.23478200
_cell_length_c 17.15059000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,790 | 21,675 | mp-1214336 | -2.85397 | 0 | BaSmCuBO5 | 0.001695 | ['B', 'Ba', 'Cu', 'O', 'Sm'] | # generated using pymatgen
data_BaSmCuBO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52725900
_cell_length_b 5.52725900
_cell_length_c 7.58966700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 100 | 100 | # generated using pymatgen
data_BaSmCuBO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52725900
_cell_length_b 5.52725900
_cell_length_c 7.58966700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,791 | 11,863 | mp-555140 | -2.005659 | 3.8453 | Cs2Li3GaO4 | 0 | ['Cs', 'Ga', 'Li', 'O'] | # generated using pymatgen
data_Cs2Li3GaO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.26040657
_cell_length_b 8.26040657
_cell_length_c 8.26040657
_cell_angle_alpha 144.10213318
_cell_angle_beta 104.37690174
_cell_angle_gamma 86.65415300
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 72 | 72 | # generated using pymatgen
data_Cs2Li3GaO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09120600
_cell_length_b 10.12835400
_cell_length_c 12.01804200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,792 | 36,930 | mp-755257 | -2.34593 | 0.2115 | MnOF | 0.041148 | ['F', 'Mn', 'O'] | # generated using pymatgen
data_MnOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61400600
_cell_length_b 4.65220800
_cell_length_c 9.53219135
_cell_angle_alpha 89.08844679
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn... | 4 | 4 | # generated using pymatgen
data_MnOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65220800
_cell_length_b 4.61400600
_cell_length_c 9.53219135
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.91155321
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn... |
26,793 | 18,246 | mp-19205 | -3.310516 | 1.584 | ErVO3 | 0 | ['Er', 'O', 'V'] | # generated using pymatgen
data_ErVO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29323100
_cell_length_b 5.71851800
_cell_length_c 7.61188000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | 62 | 62 | # generated using pymatgen
data_ErVO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.29323100
_cell_length_b 5.71851800
_cell_length_c 7.61188000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... |
26,794 | 11,661 | mp-1215459 | -0.514528 | 0 | YbAl3Au | 0 | ['Al', 'Au', 'Yb'] | # generated using pymatgen
data_YbAl3Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.62701678
_cell_length_b 6.62701678
_cell_length_c 6.62701678
_cell_angle_alpha 143.71910840
_cell_angle_beta 143.71910840
_cell_angle_gamma 52.24753093
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 107 | 107 | # generated using pymatgen
data_YbAl3Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12660800
_cell_length_b 4.12660800
_cell_length_c 11.90006800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,795 | 36,081 | mp-1173084 | -1.208402 | 0.4029 | K2O | 0.039455 | ['K', 'O'] | # generated using pymatgen
data_K2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.61730504
_cell_length_b 7.61730504
_cell_length_c 7.61730504
_cell_angle_alpha 139.73930879
_cell_angle_beta 139.73930879
_cell_angle_gamma 58.24933564
_symmetry_Int_Tables_number 1
_chemical_formula_structural K... | 141 | 141 | # generated using pymatgen
data_K2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.24309800
_cell_length_b 5.24309800
_cell_length_c 13.30838800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2... |
26,796 | 3,730 | mp-14636 | -1.265572 | 2.1942 | Rb2NbAgS4 | 0 | ['Ag', 'Nb', 'Rb', 'S'] | # generated using pymatgen
data_Rb2NbAgS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.92598086
_cell_length_b 12.41543394
_cell_length_c 7.59468772
_cell_angle_alpha 84.55662052
_cell_angle_beta 62.56198879
_cell_angle_gamma 32.88139069
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 70 | 70 | # generated using pymatgen
data_Rb2NbAgS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98152800
_cell_length_b 13.96203599
_cell_length_c 24.09965399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,797 | 17,624 | mp-1189310 | -0.783563 | 0.4747 | Ho3Cu3Sb4 | 0 | ['Cu', 'Ho', 'Sb'] | # generated using pymatgen
data_Ho3Cu3Sb4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.27987143
_cell_length_b 8.27987143
_cell_length_c 8.27987201
_cell_angle_alpha 109.47121498
_cell_angle_beta 109.47122346
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 220 | 220 | # generated using pymatgen
data_Ho3Cu3Sb4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.56077233
_cell_length_b 9.56077233
_cell_length_c 9.56077233
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,798 | 11,477 | mp-971830 | -0.602804 | 0 | U3Sb4Rh3 | 0 | ['Rh', 'Sb', 'U'] | # generated using pymatgen
data_U3Sb4Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.31184855
_cell_length_b 8.31184855
_cell_length_c 8.31184855
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 220 | 220 | # generated using pymatgen
data_U3Sb4Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.59769600
_cell_length_b 9.59769600
_cell_length_c 9.59769600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,799 | 10,955 | mp-867152 | -0.571068 | 0 | EuMgGe | 0 | ['Eu', 'Ge', 'Mg'] | # generated using pymatgen
data_EuMgGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54708500
_cell_length_b 7.66810300
_cell_length_c 8.50153300
_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_EuMgGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54708500
_cell_length_b 7.66810300
_cell_length_c 8.50153300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
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