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 |
|---|---|---|---|---|---|---|---|---|---|---|---|
26,200 | 550 | mp-1078464 | -0.12276 | 0 | MnGe | 0 | ['Ge', 'Mn'] | # generated using pymatgen
data_MnGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76188200
_cell_length_b 4.76188200
_cell_length_c 4.76188200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn... | 198 | 198 | # generated using pymatgen
data_MnGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76188200
_cell_length_b 4.76188200
_cell_length_c 4.76188200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn... |
26,201 | 25,194 | mp-1217545 | -0.009291 | 0 | TbFe11Mo | 0.008269 | ['Fe', 'Mo', 'Tb'] | # generated using pymatgen
data_TbFe11Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69956300
_cell_length_b 6.46463053
_cell_length_c 6.46463053
_cell_angle_alpha 97.86070028
_cell_angle_beta 111.31424136
_cell_angle_gamma 68.68575864
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 44 | 44 | # generated using pymatgen
data_TbFe11Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69956300
_cell_length_b 8.49421400
_cell_length_c 8.53980200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,202 | 6,613 | mp-1186804 | -0.26137 | 0 | Pu2HgGe | 0 | ['Ge', 'Hg', 'Pu'] | # generated using pymatgen
data_Pu2HgGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08972916
_cell_length_b 5.08972916
_cell_length_c 5.08972916
_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_Pu2HgGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19796401
_cell_length_b 7.19796401
_cell_length_c 7.19796401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,203 | 30,443 | mp-865124 | -0.220828 | 0 | NaSr2In | 0.018795 | ['In', 'Na', 'Sr'] | # generated using pymatgen
data_NaSr2In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94542877
_cell_length_b 5.94542877
_cell_length_c 5.94542877
_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_NaSr2In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.40810600
_cell_length_b 8.40810600
_cell_length_c 8.40810600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,204 | 24,940 | mp-862660 | -0.518118 | 0 | LiEr2Rh | 0.007605 | ['Er', 'Li', 'Rh'] | # generated using pymatgen
data_LiEr2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89547561
_cell_length_b 4.89547561
_cell_length_c 4.89547561
_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_LiEr2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.92324800
_cell_length_b 6.92324800
_cell_length_c 6.92324800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,205 | 6,171 | mp-1210661 | -0.486226 | 0 | LuZnSn | 0 | ['Lu', 'Sn', 'Zn'] | # generated using pymatgen
data_LuZnSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50722445
_cell_length_b 4.50722445
_cell_length_c 15.15197000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000655
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_LuZnSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50722445
_cell_length_b 4.50722445
_cell_length_c 15.15197000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,206 | 5,098 | mp-11284 | -0.519014 | 0 | CaGa2 | 0 | ['Ca', 'Ga'] | # generated using pymatgen
data_CaGa2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50590818
_cell_length_b 4.50590818
_cell_length_c 7.38822200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000261
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_CaGa2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50590818
_cell_length_b 4.50590818
_cell_length_c 7.38822200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,207 | 9,327 | mp-4207 | -0.536722 | 0 | USb2Pd | 0 | ['Pd', 'Sb', 'U'] | # generated using pymatgen
data_USb2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36411000
_cell_length_b 4.36411000
_cell_length_c 9.65511000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 129 | 129 | # generated using pymatgen
data_USb2Pd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.36411000
_cell_length_b 4.36411000
_cell_length_c 9.65511000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,208 | 44,061 | mp-1103067 | -0.528998 | 0.2517 | FePSe | 0.074243 | ['Fe', 'P', 'Se'] | # generated using pymatgen
data_FePSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71437600
_cell_length_b 5.73688200
_cell_length_c 5.80583608
_cell_angle_alpha 67.31281716
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural F... | 14 | 14 | # generated using pymatgen
data_FePSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73688200
_cell_length_b 5.71437600
_cell_length_c 5.80583608
_cell_angle_alpha 90.00000000
_cell_angle_beta 112.68718284
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,209 | 29,146 | mp-1190244 | -2.273303 | 1.7555 | ErScS3 | 0.017259 | ['Er', 'S', 'Sc'] | # generated using pymatgen
data_ErScS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.35345200
_cell_length_b 6.97091500
_cell_length_c 9.53949500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 33 | 33 | # generated using pymatgen
data_ErScS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.35345200
_cell_length_b 6.97091500
_cell_length_c 9.53949500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,210 | 27,412 | mp-754072 | -2.83336 | 1.5799 | VOF | 0.012324 | ['F', 'O', 'V'] | # generated using pymatgen
data_VOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99185300
_cell_length_b 5.11823837
_cell_length_c 5.17095904
_cell_angle_alpha 101.80063791
_cell_angle_beta 90.00002219
_cell_angle_gamma 90.00004277
_symmetry_Int_Tables_number 1
_chemical_formula_structural VO... | 14 | 14 | # generated using pymatgen
data_VOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11823837
_cell_length_b 4.99185300
_cell_length_c 5.17095904
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.80063791
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VO... |
26,211 | 25,285 | mp-1228881 | -2.560562 | 0 | CsMnCuF6 | 0.008791 | ['Cs', 'Cu', 'F', 'Mn'] | # generated using pymatgen
data_CsMnCuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.47336467
_cell_length_b 7.47336467
_cell_length_c 7.47336467
_cell_angle_alpha 122.33708440
_cell_angle_beta 117.27383574
_cell_angle_gamma 90.39287759
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 74 | 74 | # generated using pymatgen
data_CsMnCuF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.20783200
_cell_length_b 7.77916800
_cell_length_c 10.53263600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,212 | 37,716 | mp-1220069 | 0.043586 | 0 | NdTh | 0.043586 | ['Nd', 'Th'] | # generated using pymatgen
data_NdTh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.31856291
_cell_length_b 6.31856291
_cell_length_c 6.31856294
_cell_angle_alpha 32.99672158
_cell_angle_beta 32.99672158
_cell_angle_gamma 32.99673116
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nd... | 166 | 166 | # generated using pymatgen
data_NdTh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.58879150
_cell_length_b 3.58879150
_cell_length_c 17.90753659
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,213 | 17,173 | mp-1211654 | -3.605944 | 6.6673 | K3DyF6 | 0 | ['Dy', 'F', 'K'] | # generated using pymatgen
data_K3DyF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.63643000
_cell_length_b 6.42905100
_cell_length_c 11.19142586
_cell_angle_alpha 55.10775955
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 14 | 14 | # generated using pymatgen
data_K3DyF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.42905100
_cell_length_b 6.63643000
_cell_length_c 11.19142586
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.89224045
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,214 | 1,152 | mp-1205773 | -0.580524 | 0 | SmSiRu2C | 0 | ['C', 'Ru', 'Si', 'Sm'] | # generated using pymatgen
data_SmSiRu2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89663145
_cell_length_b 5.89663145
_cell_length_c 7.21526900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 141.50595347
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 63 | 63 | # generated using pymatgen
data_SmSiRu2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.88755000
_cell_length_b 11.13409201
_cell_length_c 7.21526900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,215 | 10,940 | mp-864890 | -0.670992 | 0 | Hf2FeIr | 0 | ['Hf', 'Fe', 'Ir'] | # generated using pymatgen
data_Hf2FeIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56884743
_cell_length_b 4.56884743
_cell_length_c 4.56884743
_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_Hf2FeIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.46132600
_cell_length_b 6.46132600
_cell_length_c 6.46132600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,216 | 11,712 | mp-13254 | -0.281563 | 0 | CeMgZn2 | 0 | ['Ce', 'Mg', 'Zn'] | # generated using pymatgen
data_CeMgZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.91122712
_cell_length_b 4.91122712
_cell_length_c 4.91122712
_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_CeMgZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.94552400
_cell_length_b 6.94552400
_cell_length_c 6.94552400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,217 | 36,799 | mp-1516558 | -2.256084 | 0 | BaSrInBiO6 | 0.040144 | ['Ba', 'Bi', 'In', 'O', 'Sr'] | # generated using pymatgen
data_BaSrInBiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03119992
_cell_length_b 6.03119992
_cell_length_c 6.03119992
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 216 | 216 | # generated using pymatgen
data_BaSrInBiO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.52940472
_cell_length_b 8.52940472
_cell_length_c 8.52940472
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,218 | 9,027 | mp-1072033 | -0.237934 | 0 | DyCu4Ag | 0 | ['Ag', 'Cu', 'Dy'] | # generated using pymatgen
data_DyCu4Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05751761
_cell_length_b 5.05751761
_cell_length_c 5.05751761
_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_DyCu4Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.15241000
_cell_length_b 7.15241000
_cell_length_c 7.15241000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,219 | 8,567 | mp-1095641 | -2.364628 | 0 | Tb5S7 | 0 | ['S', 'Tb'] | # generated using pymatgen
data_Tb5S7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.72896587
_cell_length_b 6.72896587
_cell_length_c 11.65590387
_cell_angle_alpha 75.92069249
_cell_angle_beta 75.92069249
_cell_angle_gamma 33.04501676
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_Tb5S7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.90222799
_cell_length_b 3.82732800
_cell_length_c 11.65590387
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.69906895
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,220 | 11,925 | mp-755363 | -1.316796 | 0.5076 | Ba3SiO | 0 | ['Ba', 'O', 'Si'] | # generated using pymatgen
data_Ba3SiO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.53671000
_cell_length_b 7.82170000
_cell_length_c 10.86420900
_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_Ba3SiO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.53671000
_cell_length_b 7.82170000
_cell_length_c 10.86420900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,221 | 34,870 | mp-570231 | -1.562751 | 0.7607 | CsCdBr3 | 0.032675 | ['Br', 'Cd', 'Cs'] | # generated using pymatgen
data_CsCdBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62323500
_cell_length_b 5.62323500
_cell_length_c 5.62323500
_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_CsCdBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62323500
_cell_length_b 5.62323500
_cell_length_c 5.62323500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,222 | 36,888 | mp-675326 | -1.016203 | 0 | Nb4IrSe10 | 0.039912 | ['Ir', 'Nb', 'Se'] | # generated using pymatgen
data_Nb4IrSe10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08016700
_cell_length_b 7.62836921
_cell_length_c 9.12392085
_cell_angle_alpha 113.02410197
_cell_angle_beta 108.97991661
_cell_angle_gamma 88.88315128
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 2 | 2 | # generated using pymatgen
data_Nb4IrSe10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08016700
_cell_length_b 7.62836921
_cell_length_c 9.12392085
_cell_angle_alpha 113.02410197
_cell_angle_beta 108.97991661
_cell_angle_gamma 88.88315128
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,223 | 3,688 | mp-1222297 | -2.091171 | 1.9042 | LiTbS2 | 0 | ['Li', 'S', 'Tb'] | # generated using pymatgen
data_LiTbS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.59440189
_cell_length_b 6.59440189
_cell_length_c 6.59440146
_cell_angle_alpha 34.67025813
_cell_angle_beta 34.67025813
_cell_angle_gamma 34.67025268
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_LiTbS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92973824
_cell_length_b 3.92973824
_cell_length_c 18.57543216
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,224 | 27,744 | mp-1222706 | -0.690567 | 0.2478 | LaZnAgAs2 | 0.013242 | ['Ag', 'As', 'La', 'Zn'] | # generated using pymatgen
data_LaZnAgAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.37580227
_cell_length_b 4.37580227
_cell_length_c 7.02856500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000401
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 156 | 156 | # generated using pymatgen
data_LaZnAgAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.37580227
_cell_length_b 4.37580227
_cell_length_c 7.02856500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,225 | 41,390 | mp-753340 | -3.095996 | 1.9347 | Li4VF8 | 0.059671 | ['F', 'Li', 'V'] | # generated using pymatgen
data_Li4VF8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08210500
_cell_length_b 5.17624600
_cell_length_c 5.27266562
_cell_angle_alpha 67.87841527
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 3 | 3 | # generated using pymatgen
data_Li4VF8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17624600
_cell_length_b 6.08210500
_cell_length_c 5.27266562
_cell_angle_alpha 90.00000000
_cell_angle_beta 112.12158473
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,226 | 8,235 | mp-19922 | -0.815662 | 0 | LuNiGe | 0 | ['Ge', 'Lu', 'Ni'] | # generated using pymatgen
data_LuNiGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17461400
_cell_length_b 6.74009600
_cell_length_c 7.21571200
_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_LuNiGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17461400
_cell_length_b 6.74009600
_cell_length_c 7.21571200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,227 | 23,524 | mp-1078909 | -0.393439 | 0 | CdCu2GeTe4 | 0.005097 | ['Cd', 'Cu', 'Ge', 'Te'] | # generated using pymatgen
data_CdCu2GeTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.52622365
_cell_length_b 7.52622365
_cell_length_c 7.52622365
_cell_angle_alpha 131.20672642
_cell_angle_beta 131.20672642
_cell_angle_gamma 71.48483931
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 121 | 121 | # generated using pymatgen
data_CdCu2GeTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.21742800
_cell_length_b 6.21742800
_cell_length_c 12.21733800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,228 | 2,851 | mp-545598 | -2.918895 | 1.9685 | UCdO4 | 0 | ['U', 'Cd', 'O'] | # generated using pymatgen
data_UCdO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02404508
_cell_length_b 5.02404508
_cell_length_c 3.52678400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 92.02894453
_symmetry_Int_Tables_number 1
_chemical_formula_structural U... | 65 | 65 | # generated using pymatgen
data_UCdO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.97816401
_cell_length_b 7.22975401
_cell_length_c 3.52678400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural U... |
26,229 | 11,162 | mp-1210598 | -1.785553 | 1.2278 | Mn2TeO6 | 0 | ['Mn', 'O', 'Te'] | # generated using pymatgen
data_Mn2TeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80821100
_cell_length_b 4.80821400
_cell_length_c 8.96990800
_cell_angle_alpha 89.99983355
_cell_angle_beta 89.99993231
_cell_angle_gamma 89.99644896
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 136 | 136 | # generated using pymatgen
data_Mn2TeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80821250
_cell_length_b 4.80821250
_cell_length_c 8.96990800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,230 | 11,106 | mp-1183537 | -0.195548 | 0 | Cd2AgPt | 0 | ['Ag', 'Cd', 'Pt'] | # generated using pymatgen
data_Cd2AgPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.71878659
_cell_length_b 4.71878659
_cell_length_c 4.71878659
_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_Cd2AgPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.67337199
_cell_length_b 6.67337199
_cell_length_c 6.67337199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,231 | 9,285 | mp-24565 | -2.4074 | 4.8708 | BaHClO | 0 | ['Ba', 'Cl', 'H', 'O'] | # generated using pymatgen
data_BaHClO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46309200
_cell_length_b 7.48101400
_cell_length_c 9.38150300
_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_BaHClO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46309200
_cell_length_b 7.48101400
_cell_length_c 9.38150300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,232 | 31,425 | mp-754244 | -2.643275 | 1.4818 | V2(OF)3 | 0.021451 | ['F', 'O', 'V'] | # generated using pymatgen
data_V2(OF)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19544700
_cell_length_b 5.25158350
_cell_length_c 9.25417331
_cell_angle_alpha 75.13362393
_cell_angle_beta 73.74078543
_cell_angle_gamma 60.63482107
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 1 | 1 | # generated using pymatgen
data_V2(OF)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19544700
_cell_length_b 5.25158350
_cell_length_c 9.25417331
_cell_angle_alpha 75.13362393
_cell_angle_beta 73.74078543
_cell_angle_gamma 60.63482107
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,233 | 19,681 | mp-1222896 | -0.34406 | 0 | LaNi3Rh2 | 0 | ['La', 'Ni', 'Rh'] | # generated using pymatgen
data_LaNi3Rh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12387876
_cell_length_b 5.12387876
_cell_length_c 4.04884300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 117.37617909
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 65 | 65 | # generated using pymatgen
data_LaNi3Rh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.32572600
_cell_length_b 8.75518000
_cell_length_c 4.04884300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,234 | 24,200 | mp-1217077 | -0.451851 | 0 | Ti2Si6W | 0.006186 | ['Si', 'Ti', 'W'] | # generated using pymatgen
data_Ti2Si6W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72023625
_cell_length_b 4.72023625
_cell_length_c 6.51994500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.01230927
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 21 | 21 | # generated using pymatgen
data_Ti2Si6W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.71935800
_cell_length_b 8.17619600
_cell_length_c 6.51994500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,235 | 22,191 | mp-1218515 | -3.095812 | 3.6827 | SrCa3La2(SbO6)2 | 0.002456 | ['Ca', 'La', 'O', 'Sb', 'Sr'] | # generated using pymatgen
data_SrCa3La2(SbO6)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78226169
_cell_length_b 5.94791799
_cell_length_c 8.30025186
_cell_angle_alpha 89.89564507
_cell_angle_beta 90.17671105
_cell_angle_gamma 89.81841121
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | 1 | 1 | # generated using pymatgen
data_SrCa3La2(SbO6)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.78226169
_cell_length_b 5.94791799
_cell_length_c 8.30025186
_cell_angle_alpha 90.10435493
_cell_angle_beta 90.17671105
_cell_angle_gamma 90.18158879
_symmetry_Int_Tables_number 1
_chemical_formula_stru... |
26,236 | 37,433 | mp-760378 | -3.204691 | 0 | LiTi2O4 | 0.04152 | ['Li', 'O', 'Ti'] | # generated using pymatgen
data_LiTi2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95518900
_cell_length_b 5.11262000
_cell_length_c 9.76571500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 26 | 26 | # generated using pymatgen
data_LiTi2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95518900
_cell_length_b 5.11262000
_cell_length_c 9.76571500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,237 | 25,673 | mp-1212721 | -1.738417 | 1.6383 | FeAg(SO4)2 | 0.009246 | ['Ag', 'Fe', 'O', 'S'] | # generated using pymatgen
data_FeAg(SO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83823162
_cell_length_b 4.83823162
_cell_length_c 7.50463168
_cell_angle_alpha 87.87385256
_cell_angle_beta 87.87385256
_cell_angle_gamma 65.62071713
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 12 | 12 | # generated using pymatgen
data_FeAg(SO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.13276403
_cell_length_b 5.24329000
_cell_length_c 7.50463168
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.52995804
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,238 | 25,967 | mp-866051 | -0.249637 | 0.1132 | HfFe2Sn | 0.009617 | ['Hf', 'Fe', 'Sn'] | # generated using pymatgen
data_HfFe2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39344535
_cell_length_b 4.39344535
_cell_length_c 4.39344535
_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_HfFe2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.21327000
_cell_length_b 6.21327000
_cell_length_c 6.21327000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,239 | 44,516 | mp-1027412 | -0.801901 | 0.3147 | TeMoS | 0.077233 | ['Mo', 'S', 'Te'] | # generated using pymatgen
data_TeMoS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.36553405
_cell_length_b 3.36553405
_cell_length_c 38.22693600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000100
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 156 | 156 | # generated using pymatgen
data_TeMoS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.36553405
_cell_length_b 3.36553405
_cell_length_c 38.22693600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,240 | 6,200 | mp-1226299 | -0.803963 | 0 | CrCuSnS4 | 0 | ['Cr', 'Cu', 'S', 'Sn'] | # generated using pymatgen
data_CrCuSnS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.24834177
_cell_length_b 7.24834177
_cell_length_c 7.24834177
_cell_angle_alpha 120.44663600
_cell_angle_beta 119.31717524
_cell_angle_gamma 90.20744062
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 74 | 74 | # generated using pymatgen
data_CrCuSnS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.19935400
_cell_length_b 7.32302200
_cell_length_c 10.23213000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,241 | 37,104 | mp-1178246 | -2.869385 | 0 | Gd3(BiO4)2 | 0.041861 | ['Bi', 'Gd', 'O'] | # generated using pymatgen
data_Gd3(BiO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.85753715
_cell_length_b 6.85753715
_cell_length_c 9.63454685
_cell_angle_alpha 61.28180111
_cell_angle_beta 61.28180111
_cell_angle_gamma 32.15228604
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 8 | 8 | # generated using pymatgen
data_Gd3(BiO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.17874001
_cell_length_b 3.79790400
_cell_length_c 9.63454685
_cell_angle_alpha 90.00000000
_cell_angle_beta 120.00377396
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,242 | 31,581 | mp-1183152 | -3.82906 | 3.3847 | AcScO3 | 0.02414 | ['Ac', 'O', 'Sc'] | # generated using pymatgen
data_AcScO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12504600
_cell_length_b 4.12504600
_cell_length_c 4.12504600
_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_AcScO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.12504600
_cell_length_b 4.12504600
_cell_length_c 4.12504600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,243 | 8,772 | mp-20757 | -0.20762 | 0 | MnAlGe | 0 | ['Mn', 'Al', 'Ge'] | # generated using pymatgen
data_MnAlGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89134400
_cell_length_b 3.89134400
_cell_length_c 5.94041500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 129 | 129 | # generated using pymatgen
data_MnAlGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89134400
_cell_length_b 3.89134400
_cell_length_c 5.94041500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,244 | 29,296 | mp-13092 | -0.346558 | 0 | Zr6Al2Ni | 0.016525 | ['Zr', 'Al', 'Ni'] | # generated using pymatgen
data_Zr6Al2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.95176209
_cell_length_b 7.95176209
_cell_length_c 3.35807300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000074
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 189 | 189 | # generated using pymatgen
data_Zr6Al2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.95176209
_cell_length_b 7.95176209
_cell_length_c 3.35807300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,245 | 32,910 | mp-753701 | -3.110583 | 1.1776 | Li6V2OF11 | 0.025843 | ['F', 'Li', 'O', 'V'] | # generated using pymatgen
data_Li6V2OF11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11361683
_cell_length_b 5.50394357
_cell_length_c 8.97679953
_cell_angle_alpha 85.19202139
_cell_angle_beta 73.26236385
_cell_angle_gamma 117.56988169
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 5 | 5 | # generated using pymatgen
data_Li6V2OF11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.75792665
_cell_length_b 5.11361683
_cell_length_c 8.73215610
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.87549764
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,246 | 42,942 | mp-773359 | -2.15391 | 1.3453 | Li2VCoO4 | 0.066467 | ['Co', 'Li', 'O', 'V'] | # generated using pymatgen
data_Li2VCoO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93283076
_cell_length_b 5.93955698
_cell_length_c 5.93724150
_cell_angle_alpha 60.31497009
_cell_angle_beta 89.60648839
_cell_angle_gamma 119.85967265
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 74 | 74 | # generated using pymatgen
data_Li2VCoO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94878321
_cell_length_b 5.96664847
_cell_length_c 8.36453647
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,247 | 30,030 | mp-1094558 | -0.022666 | 0 | LiMg5 | 0.019391 | ['Li', 'Mg'] | # generated using pymatgen
data_LiMg5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47036160
_cell_length_b 5.47036160
_cell_length_c 5.13344900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999518
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_LiMg5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47036160
_cell_length_b 5.47036160
_cell_length_c 5.13344900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,248 | 34,225 | mp-1220466 | -0.942294 | 0 | Nb4Fe(CS2)2 | 0.031507 | ['C', 'Fe', 'Nb', 'S'] | # generated using pymatgen
data_Nb4Fe(CS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31923600
_cell_length_b 5.74315800
_cell_length_c 8.79874074
_cell_angle_alpha 77.82371729
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 10 | 10 | # generated using pymatgen
data_Nb4Fe(CS2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.74315800
_cell_length_b 3.31923600
_cell_length_c 8.79874074
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.17628271
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,249 | 27,946 | mp-865121 | -0.564564 | 0 | NaSrAu2 | 0.01302 | ['Au', 'Na', 'Sr'] | # generated using pymatgen
data_NaSrAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27972733
_cell_length_b 5.27972733
_cell_length_c 5.27972733
_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_NaSrAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.46666200
_cell_length_b 7.46666200
_cell_length_c 7.46666200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,250 | 2,704 | mp-1227405 | -3.564854 | 4.2566 | Ca2NdTaO6 | 0 | ['Ca', 'Nd', 'O', 'Ta'] | # generated using pymatgen
data_Ca2NdTaO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65928500
_cell_length_b 5.93604700
_cell_length_c 8.20816438
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.21614144
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 7 | 7 | # generated using pymatgen
data_Ca2NdTaO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65928500
_cell_length_b 5.93604700
_cell_length_c 9.95243680
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.43853937
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,251 | 29,160 | mp-1207782 | -0.723042 | 0 | Y3Co2Si3 | 0.016442 | ['Co', 'Si', 'Y'] | # generated using pymatgen
data_Y3Co2Si3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65340229
_cell_length_b 5.65340229
_cell_length_c 13.69262800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 137.27538669
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 63 | 63 | # generated using pymatgen
data_Y3Co2Si3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11866400
_cell_length_b 10.52997800
_cell_length_c 13.69262800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,252 | 27,219 | mp-1222740 | -0.25893 | 0 | LaY(Co4B)2 | 0.012365 | ['B', 'Co', 'La', 'Y'] | # generated using pymatgen
data_LaY(Co4B)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04324363
_cell_length_b 5.04324363
_cell_length_c 6.86372000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999521
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 191 | 191 | # generated using pymatgen
data_LaY(Co4B)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04324363
_cell_length_b 5.04324363
_cell_length_c 6.86372000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
26,253 | 27,798 | mp-16031 | 0.01309 | 0.4743 | Sn3N4 | 0.01309 | ['N', 'Sn'] | # generated using pymatgen
data_Sn3N4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.46468698
_cell_length_b 6.46468698
_cell_length_c 6.46468698
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | 227 | 227 | # generated using pymatgen
data_Sn3N4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.14244800
_cell_length_b 9.14244800
_cell_length_c 9.14244800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... |
26,254 | 7,964 | mp-867899 | -0.711751 | 0 | Sm2IrRh | 0 | ['Sm', 'Ir', 'Rh'] | # generated using pymatgen
data_Sm2IrRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.95733755
_cell_length_b 4.95733755
_cell_length_c 4.95733755
_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_Sm2IrRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.01073400
_cell_length_b 7.01073400
_cell_length_c 7.01073400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,255 | 11,851 | mp-541856 | -0.403539 | 0 | U3TiGe5 | 0 | ['Ge', 'Ti', 'U'] | # generated using pymatgen
data_U3TiGe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.51178608
_cell_length_b 8.51178608
_cell_length_c 5.66167100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000062
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 193 | 193 | # generated using pymatgen
data_U3TiGe5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.51178608
_cell_length_b 8.51178608
_cell_length_c 5.66167100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,256 | 24,084 | mp-1112114 | -2.502325 | 4.9532 | Cs2RbYCl6 | 0.006169 | ['Cl', 'Cs', 'Rb', 'Y'] | # generated using pymatgen
data_Cs2RbYCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.18422783
_cell_length_b 8.18422783
_cell_length_c 8.18422783
_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_Cs2RbYCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.57424599
_cell_length_b 11.57424599
_cell_length_c 11.57424599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,257 | 26,501 | mp-1019508 | -0.877397 | 2.8191 | AlGa3N4 | 0.011315 | ['Al', 'Ga', 'N'] | # generated using pymatgen
data_AlGa3N4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50695500
_cell_length_b 4.50695500
_cell_length_c 4.50695500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 215 | 215 | # generated using pymatgen
data_AlGa3N4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50695500
_cell_length_b 4.50695500
_cell_length_c 4.50695500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,258 | 43,206 | mp-1222343 | -1.822812 | 1.7136 | LiZnFeO3 | 0.07078 | ['Fe', 'Li', 'O', 'Zn'] | # generated using pymatgen
data_LiZnFeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23144954
_cell_length_b 5.23144954
_cell_length_c 5.23144954
_cell_angle_alpha 146.52210191
_cell_angle_beta 132.69979524
_cell_angle_gamma 59.18580115
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 44 | 44 | # generated using pymatgen
data_LiZnFeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.01343600
_cell_length_b 4.19719400
_cell_length_c 9.09807799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,259 | 28,212 | mp-1220195 | -2.44133 | 3.4716 | NdBr2Cl | 0.014876 | ['Br', 'Cl', 'Nd'] | # generated using pymatgen
data_NdBr2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30472600
_cell_length_b 7.83616200
_cell_length_c 7.99852348
_cell_angle_alpha 61.00357194
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 6 | 6 | # generated using pymatgen
data_NdBr2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.83616200
_cell_length_b 4.30472600
_cell_length_c 7.99852348
_cell_angle_alpha 90.00000000
_cell_angle_beta 118.99642806
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,260 | 27,462 | mp-973876 | -0.099369 | 0 | PaBi3 | 0.012067 | ['Bi', 'Pa'] | # generated using pymatgen
data_PaBi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.67340453
_cell_length_b 6.67340453
_cell_length_c 6.08595900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000521
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_PaBi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.67340453
_cell_length_b 6.67340453
_cell_length_c 6.08595900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,261 | 18,300 | mp-27211 | -2.757788 | 4.7279 | KSb4F13 | 0 | ['F', 'K', 'Sb'] | # generated using pymatgen
data_KSb4F13
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.63984517
_cell_length_b 7.63984517
_cell_length_c 7.63984517
_cell_angle_alpha 100.10872040
_cell_angle_beta 100.10872040
_cell_angle_gamma 130.46375349
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 82 | 82 | # generated using pymatgen
data_KSb4F13
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.81048600
_cell_length_b 9.81048600
_cell_length_c 6.40138000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,262 | 27,146 | mp-1209352 | -2.053289 | 0 | Rb5Dy3Br12 | 0.012482 | ['Br', 'Dy', 'Rb'] | # generated using pymatgen
data_Rb5Dy3Br12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.29260000
_cell_length_b 14.38930640
_cell_length_c 14.38930640
_cell_angle_alpha 120.00000184
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 189 | 189 | # generated using pymatgen
data_Rb5Dy3Br12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.38930620
_cell_length_b 14.38930620
_cell_length_c 4.29260000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
26,263 | 216 | mp-1183609 | -0.44189 | 0 | CaEuTl2 | 0 | ['Ca', 'Eu', 'Tl'] | # generated using pymatgen
data_CaEuTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55319240
_cell_length_b 5.55319240
_cell_length_c 5.55319240
_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_CaEuTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.85340001
_cell_length_b 7.85340001
_cell_length_c 7.85340001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,264 | 3,561 | mp-1102943 | -2.818963 | 3.0299 | Ba2Cd(BO3)2 | 0 | ['B', 'Ba', 'Cd', 'O'] | # generated using pymatgen
data_Ba2Cd(BO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40449900
_cell_length_b 5.59748968
_cell_length_c 6.76680869
_cell_angle_alpha 114.23367959
_cell_angle_beta 90.00000000
_cell_angle_gamma 118.86587472
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 12 | 12 | # generated using pymatgen
data_Ba2Cd(BO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.80402796
_cell_length_b 5.40449900
_cell_length_c 6.76680869
_cell_angle_alpha 90.00000000
_cell_angle_beta 117.94950401
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,265 | 38,469 | mp-973147 | 0.012018 | 0 | Mg5Sc | 0.04673 | ['Mg', 'Sc'] | # generated using pymatgen
data_Mg5Sc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.18077054
_cell_length_b 6.18077054
_cell_length_c 7.57704139
_cell_angle_alpha 75.48134839
_cell_angle_beta 75.48134839
_cell_angle_gamma 29.97462375
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | 8 | 8 | # generated using pymatgen
data_Mg5Sc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.94104000
_cell_length_b 3.19675800
_cell_length_c 7.57704139
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.04178002
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,266 | 32,063 | mp-1106192 | -1.865926 | 0 | EuZrSe3 | 0.024709 | ['Eu', 'Se', 'Zr'] | # generated using pymatgen
data_EuZrSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97188800
_cell_length_b 8.91396100
_cell_length_c 14.46718000
_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_EuZrSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.97188800
_cell_length_b 8.91396100
_cell_length_c 14.46718000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,267 | 17,150 | mp-1206779 | -1.027342 | 0 | ThSiIr | 0 | ['Ir', 'Si', 'Th'] | # generated using pymatgen
data_ThSiIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.81684569
_cell_length_b 7.81684569
_cell_length_c 7.81684569
_cell_angle_alpha 148.90428712
_cell_angle_beta 148.90428712
_cell_angle_gamma 44.55220969
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 109 | 109 | # generated using pymatgen
data_ThSiIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19050400
_cell_length_b 4.19050400
_cell_length_c 14.46691600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,268 | 40,743 | mp-1225564 | -0.264362 | 0 | ErFeNi | 0.057176 | ['Er', 'Fe', 'Ni'] | # generated using pymatgen
data_ErFeNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10127510
_cell_length_b 5.10127510
_cell_length_c 5.10127510
_cell_angle_alpha 122.74239629
_cell_angle_beta 119.11665288
_cell_angle_gamma 88.42690877
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 74 | 74 | # generated using pymatgen
data_ErFeNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88838000
_cell_length_b 5.16923400
_cell_length_c 7.31264600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,269 | 34,068 | mp-1112670 | -1.564031 | 0.7682 | Cs2LiTlBr6 | 0.030592 | ['Br', 'Cs', 'Li', 'Tl'] | # generated using pymatgen
data_Cs2LiTlBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.92664580
_cell_length_b 7.92664580
_cell_length_c 7.92664580
_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_Cs2LiTlBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.20996999
_cell_length_b 11.20996999
_cell_length_c 11.20996999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
26,270 | 40,302 | mp-20114 | -0.503183 | 0 | TmMnGe | 0.056065 | ['Ge', 'Mn', 'Tm'] | # generated using pymatgen
data_TmMnGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05096200
_cell_length_b 6.95890200
_cell_length_c 7.88104500
_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_TmMnGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05096200
_cell_length_b 6.95890200
_cell_length_c 7.88104500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,271 | 5,603 | mp-11347 | -4.467668 | 7.9484 | TbF3 | 0 | ['F', 'Tb'] | # generated using pymatgen
data_TbF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44595900
_cell_length_b 6.46480300
_cell_length_c 6.96554200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb... | 62 | 62 | # generated using pymatgen
data_TbF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44595900
_cell_length_b 6.46480300
_cell_length_c 6.96554200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tb... |
26,272 | 254 | mp-4614 | -0.371152 | 0 | Tb(SiAg)2 | 0 | ['Ag', 'Si', 'Tb'] | # generated using pymatgen
data_Tb(SiAg)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.14636492
_cell_length_b 6.14636492
_cell_length_c 6.14636492
_cell_angle_alpha 140.35398305
_cell_angle_beta 140.35398305
_cell_angle_gamma 57.31621833
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Tb(SiAg)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16865800
_cell_length_b 4.16865800
_cell_length_c 10.78683400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,273 | 7,584 | mp-1113857 | -3.054633 | 3.2494 | Rb2AlAgF6 | 0 | ['Ag', 'Al', 'F', 'Rb'] | # generated using pymatgen
data_Rb2AlAgF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11805616
_cell_length_b 6.11805616
_cell_length_c 6.11805616
_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_Rb2AlAgF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.65223800
_cell_length_b 8.65223800
_cell_length_c 8.65223800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,274 | 31,365 | mp-540687 | -0.364374 | 0.035 | Ge3(BiTe3)2 | 0.022524 | ['Bi', 'Ge', 'Te'] | # generated using pymatgen
data_Ge3(BiTe3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 22.03874191
_cell_length_b 22.03874191
_cell_length_c 22.03874184
_cell_angle_alpha 11.24258897
_cell_angle_beta 11.24258897
_cell_angle_gamma 11.24258899
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | 160 | 160 | # generated using pymatgen
data_Ge3(BiTe3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31751199
_cell_length_b 4.31751199
_cell_length_c 65.69195207
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
26,275 | 6,069 | mp-1102174 | -0.342623 | 0 | In2AsPt8 | 0 | ['As', 'In', 'Pt'] | # generated using pymatgen
data_In2AsPt8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04471100
_cell_length_b 4.04471100
_cell_length_c 11.29351900
_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_In2AsPt8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04471100
_cell_length_b 4.04471100
_cell_length_c 11.29351900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,276 | 42,096 | mp-1174124 | -1.85833 | 0.6593 | Li5Mn(CoO4)2 | 0.065156 | ['Co', 'Li', 'Mn', 'O'] | # generated using pymatgen
data_Li5Mn(CoO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13414311
_cell_length_b 5.73762805
_cell_length_c 5.84963753
_cell_angle_alpha 119.42440027
_cell_angle_beta 108.50024393
_cell_angle_gamma 89.72581627
_symmetry_Int_Tables_number 1
_chemical_formula_struc... | 2 | 2 | # generated using pymatgen
data_Li5Mn(CoO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13414311
_cell_length_b 5.73762805
_cell_length_c 5.84963753
_cell_angle_alpha 119.42440027
_cell_angle_beta 108.50024393
_cell_angle_gamma 89.72581627
_symmetry_Int_Tables_number 1
_chemical_formula_struc... |
26,277 | 35,559 | mp-1104133 | -0.845049 | 0 | Na(Mo3Se4)2 | 0.036686 | ['Mo', 'Na', 'Se'] | # generated using pymatgen
data_Na(Mo3Se4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.83618979
_cell_length_b 6.83618979
_cell_length_c 6.83618919
_cell_angle_alpha 89.77695779
_cell_angle_beta 89.77695779
_cell_angle_gamma 89.77695255
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 148 | 148 | # generated using pymatgen
data_Na(Mo3Se4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.64899601
_cell_length_b 9.64899601
_cell_length_c 11.88663202
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
26,278 | 21,331 | mp-30419 | -0.227406 | 0 | USnAu2 | 0.001103 | ['U', 'Sn', 'Au'] | # generated using pymatgen
data_USnAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96589496
_cell_length_b 4.96589496
_cell_length_c 4.96589496
_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_USnAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.02283600
_cell_length_b 7.02283600
_cell_length_c 7.02283600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,279 | 26,416 | mp-754526 | -3.35303 | 4.4453 | TmBrO | 0.010258 | ['Br', 'O', 'Tm'] | # generated using pymatgen
data_TmBrO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.77933500
_cell_length_b 4.14339000
_cell_length_c 9.19362900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | 59 | 59 | # generated using pymatgen
data_TmBrO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.77933500
_cell_length_b 4.14339000
_cell_length_c 9.19362900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... |
26,280 | 3,566 | mp-1103821 | -0.355142 | 0 | Cu5Sn2Te7 | 0 | ['Cu', 'Sn', 'Te'] | # generated using pymatgen
data_Cu5Sn2Te7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.49487095
_cell_length_b 7.49487095
_cell_length_c 9.71175603
_cell_angle_alpha 82.52653624
_cell_angle_beta 82.52653624
_cell_angle_gamma 48.23961337
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 5 | 5 | # generated using pymatgen
data_Cu5Sn2Te7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.68103200
_cell_length_b 6.12549800
_cell_length_c 9.71175603
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.19305953
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,281 | 33,923 | mp-755290 | -2.698432 | 0.8788 | V3(O2F)2 | 0.030349 | ['F', 'O', 'V'] | # generated using pymatgen
data_V3(O2F)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.59326400
_cell_length_b 5.59543135
_cell_length_c 7.37805855
_cell_angle_alpha 71.54890564
_cell_angle_beta 71.65473539
_cell_angle_gamma 70.86345912
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 1 | 1 | # generated using pymatgen
data_V3(O2F)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.59326400
_cell_length_b 5.59543135
_cell_length_c 7.37805855
_cell_angle_alpha 71.54890564
_cell_angle_beta 71.65473539
_cell_angle_gamma 70.86345912
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,282 | 22,936 | mp-7765 | -3.238232 | 3.5688 | Ba3SiO5 | 0.004116 | ['Ba', 'O', 'Si'] | # generated using pymatgen
data_Ba3SiO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.73640516
_cell_length_b 7.73640516
_cell_length_c 7.73640516
_cell_angle_alpha 122.76448732
_cell_angle_beta 122.76448732
_cell_angle_gamma 85.27495066
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 140 | 140 | # generated using pymatgen
data_Ba3SiO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.41091800
_cell_length_b 7.41091800
_cell_length_c 11.38263800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,283 | 11,764 | mp-21851 | -0.54369 | 0 | MnSiIr | 0 | ['Mn', 'Si', 'Ir'] | # generated using pymatgen
data_MnSiIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.87544600
_cell_length_b 6.05524400
_cell_length_c 7.23784200
_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_MnSiIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.87544600
_cell_length_b 6.05524400
_cell_length_c 7.23784200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,284 | 7,765 | mp-21127 | -0.604696 | 0 | EuB2Rh3 | 0 | ['B', 'Eu', 'Rh'] | # generated using pymatgen
data_EuB2Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67110612
_cell_length_b 5.67110612
_cell_length_c 2.96420900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000138
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 191 | 191 | # generated using pymatgen
data_EuB2Rh3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67110612
_cell_length_b 5.67110612
_cell_length_c 2.96420900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,285 | 3,656 | mp-1209363 | -1.126113 | 0 | Rb2UTe3 | 0 | ['Rb', 'Te', 'U'] | # generated using pymatgen
data_Rb2UTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.24736894
_cell_length_b 8.24736894
_cell_length_c 9.04736041
_cell_angle_alpha 81.18707937
_cell_angle_beta 81.18707937
_cell_angle_gamma 120.03988833
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_Rb2UTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.24239600
_cell_length_b 14.28773201
_cell_length_c 9.04736041
_cell_angle_alpha 90.00000000
_cell_angle_beta 107.85458470
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,286 | 34,711 | mp-1219300 | -0.448042 | 0 | ScCoNiSn | 0.032642 | ['Co', 'Ni', 'Sc', 'Sn'] | # generated using pymatgen
data_ScCoNiSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41480280
_cell_length_b 4.41480280
_cell_length_c 4.41480280
_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_ScCoNiSn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.24347399
_cell_length_b 6.24347399
_cell_length_c 6.24347399
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,287 | 20,400 | mp-696969 | -0.675736 | 2.404 | Sr(H2N)2 | 0.000118 | ['H', 'N', 'Sr'] | # generated using pymatgen
data_Sr(H2N)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.74512582
_cell_length_b 6.74512582
_cell_length_c 6.74512582
_cell_angle_alpha 131.75671326
_cell_angle_beta 131.75671326
_cell_angle_gamma 70.61354430
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 141 | 141 | # generated using pymatgen
data_Sr(H2N)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51313200
_cell_length_b 5.51313200
_cell_length_c 11.00897999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,288 | 664 | mp-3211 | -3.451995 | 3.016 | Nd2SO2 | 0 | ['Nd', 'S', 'O'] | # generated using pymatgen
data_Nd2SO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98280722
_cell_length_b 3.98280722
_cell_length_c 6.84917400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998696
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_Nd2SO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98280722
_cell_length_b 3.98280722
_cell_length_c 6.84917400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,289 | 31,726 | mp-1223859 | -0.246431 | 0 | In2GaAs3 | 0.023516 | ['As', 'Ga', 'In'] | # generated using pymatgen
data_In2GaAs3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.55225286
_cell_length_b 9.55225286
_cell_length_c 9.55225286
_cell_angle_alpha 154.10593642
_cell_angle_beta 154.10593642
_cell_angle_gamma 36.94564636
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 119 | 119 | # generated using pymatgen
data_In2GaAs3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28036800
_cell_length_b 4.28036800
_cell_length_c 18.12012799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,290 | 19,044 | mp-1079889 | -0.624071 | 0.3417 | ZnAg2SnS4 | 0 | ['Ag', 'S', 'Sn', 'Zn'] | # generated using pymatgen
data_ZnAg2SnS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.24990160
_cell_length_b 7.24990160
_cell_length_c 7.24990160
_cell_angle_alpha 134.75223399
_cell_angle_beta 134.75223399
_cell_angle_gamma 65.91541660
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 121 | 121 | # generated using pymatgen
data_ZnAg2SnS4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.57778600
_cell_length_b 5.57778600
_cell_length_c 12.16638400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
26,291 | 11,823 | mp-3118 | -2.548897 | 3.2862 | Mg3TeO6 | 0 | ['Mg', 'O', 'Te'] | # generated using pymatgen
data_Mg3TeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.11674984
_cell_length_b 6.11674984
_cell_length_c 6.11675072
_cell_angle_alpha 90.66936184
_cell_angle_beta 90.66936184
_cell_angle_gamma 90.66936051
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 148 | 148 | # generated using pymatgen
data_Mg3TeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.70077237
_cell_length_b 8.70077237
_cell_length_c 10.47002216
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,292 | 4,980 | mp-9075 | -2.155965 | 0.7622 | CdCuF4 | 0 | ['Cd', 'Cu', 'F'] | # generated using pymatgen
data_CdCuF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.47977688
_cell_length_b 6.47977688
_cell_length_c 6.47977688
_cell_angle_alpha 130.33116193
_cell_angle_beta 130.33116193
_cell_angle_gamma 72.87790028
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 140 | 140 | # generated using pymatgen
data_CdCuF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.44297800
_cell_length_b 5.44297800
_cell_length_c 10.42583400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,293 | 37,958 | mp-865748 | -0.649622 | 0 | YbGaAu2 | 0.044598 | ['Au', 'Ga', 'Yb'] | # generated using pymatgen
data_YbGaAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84238037
_cell_length_b 4.84238037
_cell_length_c 4.84238037
_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_YbGaAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.84815999
_cell_length_b 6.84815999
_cell_length_c 6.84815999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,294 | 4,073 | mp-1104152 | -0.280413 | 0 | Tb2FeC4 | 0 | ['C', 'Fe', 'Tb'] | # generated using pymatgen
data_Tb2FeC4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04999500
_cell_length_b 6.62853580
_cell_length_c 6.62853580
_cell_angle_alpha 68.83048753
_cell_angle_beta 67.60880325
_cell_angle_gamma 67.60880325
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 72 | 72 | # generated using pymatgen
data_Tb2FeC4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04999500
_cell_length_b 7.49271801
_cell_length_c 9.70086001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,295 | 2,147 | mp-12018 | -0.444478 | 0 | NdAl4Ge2Au | 0 | ['Al', 'Au', 'Ge', 'Nd'] | # generated using pymatgen
data_NdAl4Ge2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.79187841
_cell_length_b 10.79187841
_cell_length_c 10.79187822
_cell_angle_alpha 22.85373177
_cell_angle_beta 22.85373177
_cell_angle_gamma 22.85372952
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 166 | 166 | # generated using pymatgen
data_NdAl4Ge2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27610819
_cell_length_b 4.27610819
_cell_length_c 31.51708170
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
26,296 | 26,327 | mp-27924 | -1.492391 | 0 | TbBr | 0.010312 | ['Br', 'Tb'] | # generated using pymatgen
data_TbBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.00252166
_cell_length_b 11.00252166
_cell_length_c 11.00252105
_cell_angle_alpha 20.08944386
_cell_angle_beta 20.08944386
_cell_angle_gamma 20.08944656
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 166 | 166 | # generated using pymatgen
data_TbBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.83804969
_cell_length_b 3.83804969
_cell_length_c 32.33121451
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
26,297 | 22,772 | mp-143 | 0.003588 | 0 | Tm | 0.003588 | ['Tm'] | # generated using pymatgen
data_Tm
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.56264519
_cell_length_b 3.56264519
_cell_length_c 5.51315500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998487
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tm
... | 194 | 194 | # generated using pymatgen
data_Tm
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.56264519
_cell_length_b 3.56264519
_cell_length_c 5.51315500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tm
... |
26,298 | 41,338 | mp-3148 | -1.027056 | 0 | Dy(SiPt)2 | 0.058979 | ['Dy', 'Si', 'Pt'] | # generated using pymatgen
data_Dy(SiPt)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.75777945
_cell_length_b 5.75777945
_cell_length_c 5.75777945
_cell_angle_alpha 137.28093993
_cell_angle_beta 137.28093993
_cell_angle_gamma 62.00607681
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Dy(SiPt)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.19418600
_cell_length_b 4.19418600
_cell_length_c 9.87044601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
26,299 | 34,344 | mp-28495 | -1.59118 | 0 | ZrBr2 | 0.031905 | ['Br', 'Zr'] | # generated using pymatgen
data_ZrBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.62231513
_cell_length_b 8.62231513
_cell_length_c 8.62231537
_cell_angle_alpha 106.83990262
_cell_angle_beta 106.83990262
_cell_angle_gamma 106.83990339
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 148 | 148 | # generated using pymatgen
data_ZrBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.84787006
_cell_length_b 13.84787006
_cell_length_c 9.68547153
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
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