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 |
|---|---|---|---|---|---|---|---|---|---|---|---|
27,000 | 22,650 | mp-1215565 | -0.585825 | 1.1792 | Zn2GaCuTe4 | 0.003987 | ['Cu', 'Ga', 'Te', 'Zn'] | # generated using pymatgen
data_Zn2GaCuTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.49788656
_cell_length_b 7.49788656
_cell_length_c 7.49788656
_cell_angle_alpha 131.67462561
_cell_angle_beta 131.67462561
_cell_angle_gamma 70.74340836
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 121 | 121 | # generated using pymatgen
data_Zn2GaCuTe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.13820400
_cell_length_b 6.13820400
_cell_length_c 12.22776000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
27,001 | 3,923 | mp-861969 | -0.29778 | 0 | LiTmTl2 | 0 | ['Li', 'Tl', 'Tm'] | # generated using pymatgen
data_LiTmTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16451560
_cell_length_b 5.16451560
_cell_length_c 5.16451560
_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_LiTmTl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.30372800
_cell_length_b 7.30372800
_cell_length_c 7.30372800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,002 | 39,887 | mp-753006 | -2.334132 | 0 | MnOF | 0.052945 | ['F', 'Mn', 'O'] | # generated using pymatgen
data_MnOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.07522800
_cell_length_b 4.81254200
_cell_length_c 14.26241745
_cell_angle_alpha 86.03401168
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | 10 | 10 | # generated using pymatgen
data_MnOF
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81254200
_cell_length_b 3.07522800
_cell_length_c 14.26241745
_cell_angle_alpha 90.00000000
_cell_angle_beta 93.96598832
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... |
27,003 | 28,312 | mp-20901 | -0.5409 | 0 | NiSe2 | 0.014079 | ['Ni', 'Se'] | # generated using pymatgen
data_NiSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93587000
_cell_length_b 5.93587000
_cell_length_c 5.93587000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | 205 | 205 | # generated using pymatgen
data_NiSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93587000
_cell_length_b 5.93587000
_cell_length_c 5.93587000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... |
27,004 | 31,806 | mp-1543286 | -2.851501 | 1.9081 | MgCoF5 | 0.023382 | ['Co', 'F', 'Mg'] | # generated using pymatgen
data_MgCoF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.25051329
_cell_length_b 5.25051329
_cell_length_c 7.37034938
_cell_angle_alpha 69.30597637
_cell_angle_beta 69.30597637
_cell_angle_gamma 72.14811165
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 15 | 15 | # generated using pymatgen
data_MgCoF5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.48752400
_cell_length_b 6.18332400
_cell_length_c 7.37034938
_cell_angle_alpha 90.00000000
_cell_angle_beta 115.92595606
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,005 | 18,748 | mp-21412 | -0.134793 | 0 | Ce3Tl | 0 | ['Ce', 'Tl'] | # generated using pymatgen
data_Ce3Tl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84117500
_cell_length_b 4.84117500
_cell_length_c 4.84117500
_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_Ce3Tl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84117500
_cell_length_b 4.84117500
_cell_length_c 4.84117500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... |
27,006 | 32,534 | mp-1094593 | -0.031369 | 0 | LiMg2 | 0.025994 | ['Li', 'Mg'] | # generated using pymatgen
data_LiMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36476407
_cell_length_b 5.36476407
_cell_length_c 5.11462900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 118.25626690
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_LiMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.50553400
_cell_length_b 9.20933600
_cell_length_c 5.11462900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... |
27,007 | 42,376 | mp-753424 | -2.408987 | 0.56 | Li3Ti2(NiO4)2 | 0.064921 | ['Li', 'Ni', 'O', 'Ti'] | # generated using pymatgen
data_Li3Ti2(NiO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.93529017
_cell_length_b 5.88686880
_cell_length_c 5.88689099
_cell_angle_alpha 120.04646875
_cell_angle_beta 60.14811431
_cell_angle_gamma 119.85205928
_symmetry_Int_Tables_number 1
_chemical_formula_stru... | 12 | 12 | # generated using pymatgen
data_Li3Ti2(NiO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.19876146
_cell_length_b 5.88274461
_cell_length_c 5.93529017
_cell_angle_alpha 90.00000000
_cell_angle_beta 125.07374526
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_stru... |
27,008 | 22,463 | mp-891 | -0.357602 | 0 | TaNi3 | 0.003175 | ['Ta', 'Ni'] | # generated using pymatgen
data_TaNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24630100
_cell_length_b 4.54252900
_cell_length_c 5.10837000
_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_TaNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.24630100
_cell_length_b 4.54252900
_cell_length_c 5.10837000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... |
27,009 | 24,101 | mp-1178150 | -1.633719 | 0.0139 | KCu2H2(SO5)2 | 0.006083 | ['Cu', 'H', 'K', 'O', 'S'] | # generated using pymatgen
data_KCu2H2(SO5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.63226123
_cell_length_b 5.63226123
_cell_length_c 8.03047670
_cell_angle_alpha 65.77302314
_cell_angle_beta 65.77302314
_cell_angle_gamma 68.38877286
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 12 | 12 | # generated using pymatgen
data_KCu2H2(SO5)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.31728800
_cell_length_b 6.33068800
_cell_length_c 8.03047670
_cell_angle_alpha 90.00000000
_cell_angle_beta 119.74314589
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
27,010 | 40,794 | mp-1303453 | -1.851045 | 3.133 | KLi2FeO3 | 0.056983 | ['Fe', 'K', 'Li', 'O'] | # generated using pymatgen
data_KLi2FeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.49907231
_cell_length_b 5.49909008
_cell_length_c 6.12543500
_cell_angle_alpha 89.99993336
_cell_angle_beta 89.99995880
_cell_angle_gamma 106.83632181
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 63 | 63 | # generated using pymatgen
data_KLi2FeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.55457900
_cell_length_b 8.83159499
_cell_length_c 6.12543500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,011 | 11,995 | mp-989540 | -1.160632 | 0 | Sr6Sn2NO | 0 | ['Sr', 'Sn', 'N', 'O'] | # generated using pymatgen
data_Sr6Sn2NO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.37933808
_cell_length_b 7.37933808
_cell_length_c 7.37933808
_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_Sr6Sn2NO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.43595999
_cell_length_b 10.43595999
_cell_length_c 10.43595999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
27,012 | 12,376 | mp-571647 | -1.759189 | 0 | La2PI2 | 0 | ['I', 'La', 'P'] | # generated using pymatgen
data_La2PI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33602765
_cell_length_b 4.33602765
_cell_length_c 11.06038400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999472
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_La2PI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33602765
_cell_length_b 4.33602765
_cell_length_c 11.06038400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,013 | 12,558 | mp-1102621 | -0.724025 | 0 | ErCoSi | 0 | ['Co', 'Er', 'Si'] | # generated using pymatgen
data_ErCoSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17325700
_cell_length_b 6.85781900
_cell_length_c 6.85296100
_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_ErCoSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.17325700
_cell_length_b 6.85296100
_cell_length_c 6.85781900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,014 | 929 | mp-1189848 | -0.705759 | 0 | Tb5Bi3 | 0 | ['Bi', 'Tb'] | # generated using pymatgen
data_Tb5Bi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.25037274
_cell_length_b 9.25037274
_cell_length_c 6.38320700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000529
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 193 | 193 | # generated using pymatgen
data_Tb5Bi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.25037274
_cell_length_b 9.25037274
_cell_length_c 6.38320700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,015 | 7,727 | mp-15123 | -0.200223 | 0 | Th(AlC)4 | 0 | ['Al', 'C', 'Th'] | # generated using pymatgen
data_Th(AlC)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.06658666
_cell_length_b 6.06658666
_cell_length_c 6.06658666
_cell_angle_alpha 94.35245644
_cell_angle_beta 94.35245644
_cell_angle_gamma 148.01823313
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 87 | 87 | # generated using pymatgen
data_Th(AlC)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.24747199
_cell_length_b 8.24747199
_cell_length_c 3.34250000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,016 | 38,539 | mp-1094503 | -0.032078 | 0 | Mg2Zn | 0.048831 | ['Mg', 'Zn'] | # generated using pymatgen
data_Mg2Zn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.91203554
_cell_length_b 5.91203554
_cell_length_c 6.87518356
_cell_angle_alpha 75.65863284
_cell_angle_beta 75.65863284
_cell_angle_gamma 30.33782533
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | 12 | 12 | # generated using pymatgen
data_Mg2Zn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.41210401
_cell_length_b 3.09395200
_cell_length_c 6.87518356
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.87080091
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,017 | 28,462 | mp-971758 | -0.113473 | 0 | ZnNi3 | 0.014012 | ['Ni', 'Zn'] | # generated using pymatgen
data_ZnNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.56905400
_cell_length_b 3.56905400
_cell_length_c 3.56905400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... | 221 | 221 | # generated using pymatgen
data_ZnNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.56905400
_cell_length_b 3.56905400
_cell_length_c 3.56905400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Z... |
27,018 | 4,292 | mp-2510 | -0.1697 | 0 | ZrHg | 0 | ['Zr', 'Hg'] | # generated using pymatgen
data_ZrHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.16885900
_cell_length_b 3.16885900
_cell_length_c 4.31316300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr... | 123 | 123 | # generated using pymatgen
data_ZrHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.16885900
_cell_length_b 3.16885900
_cell_length_c 4.31316300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr... |
27,019 | 30,638 | mp-1188750 | -0.453887 | 0 | Nd2Ir7 | 0.02123 | ['Ir', 'Nd'] | # generated using pymatgen
data_Nd2Ir7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.54660769
_cell_length_b 13.54660769
_cell_length_c 13.54660758
_cell_angle_alpha 22.89072314
_cell_angle_beta 22.89072314
_cell_angle_gamma 22.89072328
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 166 | 166 | # generated using pymatgen
data_Nd2Ir7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37619797
_cell_length_b 5.37619797
_cell_length_c 39.55862354
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,020 | 16,239 | mp-2052 | -1.37369 | 0 | ScAs | 0 | ['Sc', 'As'] | # generated using pymatgen
data_ScAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.88169803
_cell_length_b 3.88169803
_cell_length_c 3.88169803
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc... | 225 | 225 | # generated using pymatgen
data_ScAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.48955000
_cell_length_b 5.48955000
_cell_length_c 5.48955000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc... |
27,021 | 16,966 | mp-865960 | -0.06732 | 0 | CoRe3 | 0 | ['Co', 'Re'] | # generated using pymatgen
data_CoRe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42372643
_cell_length_b 5.42372643
_cell_length_c 4.35894500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000529
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_CoRe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42372643
_cell_length_b 5.42372643
_cell_length_c 4.35894500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,022 | 4,755 | mp-20208 | -0.334142 | 0 | Sm(Sn3Ru2)2 | 0 | ['Ru', 'Sm', 'Sn'] | # generated using pymatgen
data_Sm(Sn3Ru2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.96769512
_cell_length_b 6.96769512
_cell_length_c 6.96769512
_cell_angle_alpha 120.22220633
_cell_angle_beta 120.22220633
_cell_angle_gamma 89.61555631
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 121 | 121 | # generated using pymatgen
data_Sm(Sn3Ru2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.94428000
_cell_length_b 6.94428000
_cell_length_c 9.88681200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
27,023 | 39,084 | mp-1113281 | -1.636064 | 2.2444 | Cs2AlInBr6 | 0.051422 | ['Al', 'Br', 'Cs', 'In'] | # generated using pymatgen
data_Cs2AlInBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.08785342
_cell_length_b 8.08785342
_cell_length_c 8.08785342
_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_Cs2AlInBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.43795200
_cell_length_b 11.43795200
_cell_length_c 11.43795200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
27,024 | 25,769 | mp-1225636 | -0.150405 | 0 | DyThRe4 | 0.009063 | ['Dy', 'Re', 'Th'] | # generated using pymatgen
data_DyThRe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42235460
_cell_length_b 5.42235460
_cell_length_c 9.17147700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000727
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_DyThRe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42235460
_cell_length_b 5.42235460
_cell_length_c 9.17147700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,025 | 31,367 | mp-545369 | -0.839049 | 0 | CuBiTeO | 0.021315 | ['Bi', 'Cu', 'O', 'Te'] | # generated using pymatgen
data_CuBiTeO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06110800
_cell_length_b 4.06110800
_cell_length_c 9.62391000
_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_CuBiTeO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.06110800
_cell_length_b 4.06110800
_cell_length_c 9.62391000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,026 | 39,046 | mp-1094812 | -0.03906 | 0 | MgCd2 | 0.05134 | ['Cd', 'Mg'] | # generated using pymatgen
data_MgCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.19112641
_cell_length_b 6.19112641
_cell_length_c 7.30349356
_cell_angle_alpha 74.12246256
_cell_angle_beta 74.12246256
_cell_angle_gamma 29.81349109
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | 12 | 12 | # generated using pymatgen
data_MgCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.96553801
_cell_length_b 3.18529200
_cell_length_c 7.30349356
_cell_angle_alpha 90.00000000
_cell_angle_beta 106.44590675
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,027 | 37,140 | mp-1186771 | 0.042333 | 0 | SrYb3 | 0.042333 | ['Sr', 'Yb'] | # generated using pymatgen
data_SrYb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.20906080
_cell_length_b 6.20906080
_cell_length_c 6.20906080
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... | 225 | 225 | # generated using pymatgen
data_SrYb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.78093799
_cell_length_b 8.78093799
_cell_length_c 8.78093799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural S... |
27,028 | 36,823 | mp-22587 | -0.801067 | 0.0687 | Cd(InSe2)2 | 0.040702 | ['Cd', 'In', 'Se'] | # generated using pymatgen
data_Cd(InSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.18582590
_cell_length_b 8.18582590
_cell_length_c 8.18582590
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 227 | 227 | # generated using pymatgen
data_Cd(InSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.57650601
_cell_length_b 11.57650601
_cell_length_c 11.57650601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
27,029 | 39,637 | mp-1187290 | 0.053274 | 0 | SrEu3 | 0.053274 | ['Eu', 'Sr'] | # generated using pymatgen
data_SrEu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.04411753
_cell_length_b 8.04411753
_cell_length_c 6.55687400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999616
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_SrEu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.04411753
_cell_length_b 8.04411753
_cell_length_c 6.55687400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,030 | 20,063 | mp-1147551 | -1.240359 | 0.8069 | KCuTeO6 | 0 | ['Cu', 'K', 'O', 'Te'] | # generated using pymatgen
data_KCuTeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10784876
_cell_length_b 5.10784876
_cell_length_c 6.19551200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000980
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 149 | 149 | # generated using pymatgen
data_KCuTeO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10784876
_cell_length_b 5.10784876
_cell_length_c 6.19551200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,031 | 2,026 | mp-10302 | -2.780372 | 0 | Ba2ScIrO6 | 0 | ['Ba', 'Ir', 'O', 'Sc'] | # generated using pymatgen
data_Ba2ScIrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.82343305
_cell_length_b 5.82343305
_cell_length_c 5.82343305
_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_Ba2ScIrO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.23557800
_cell_length_b 8.23557800
_cell_length_c 8.23557800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
27,032 | 36,710 | mp-1219006 | -0.420217 | 0 | Sn7Pd5 | 0.040059 | ['Pd', 'Sn'] | # generated using pymatgen
data_Sn7Pd5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.00020308
_cell_length_b 7.00020308
_cell_length_c 9.73039332
_cell_angle_alpha 69.66172789
_cell_angle_beta 69.66172789
_cell_angle_gamma 36.49444562
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 5 | 5 | # generated using pymatgen
data_Sn7Pd5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 13.29638600
_cell_length_b 4.38377600
_cell_length_c 9.73039332
_cell_angle_alpha 90.00000000
_cell_angle_beta 111.46697373
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,033 | 2,445 | mp-865467 | -0.718684 | 0 | Pm2SnAu | 0 | ['Pm', 'Sn', 'Au'] | # generated using pymatgen
data_Pm2SnAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.35793476
_cell_length_b 5.35793476
_cell_length_c 5.35793476
_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_Pm2SnAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.57726400
_cell_length_b 7.57726400
_cell_length_c 7.57726400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,034 | 14,603 | mp-1188002 | -0.484239 | 0 | Zr2TcOs | 0 | ['Os', 'Tc', 'Zr'] | # generated using pymatgen
data_Zr2TcOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65457847
_cell_length_b 4.65457847
_cell_length_c 4.65457847
_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_Zr2TcOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.58256800
_cell_length_b 6.58256800
_cell_length_c 6.58256800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,035 | 38,512 | mp-1029316 | -0.801296 | 0 | Na2ZrN2 | 0.048889 | ['Na', 'Zr', 'N'] | # generated using pymatgen
data_Na2ZrN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.35728603
_cell_length_b 3.35728603
_cell_length_c 8.88552000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000062
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 164 | 164 | # generated using pymatgen
data_Na2ZrN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.35728603
_cell_length_b 3.35728603
_cell_length_c 8.88552000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,036 | 33,254 | mp-1227328 | -0.155683 | 0.7707 | Ca(BC3)2 | 0.028715 | ['B', 'C', 'Ca'] | # generated using pymatgen
data_Ca(BC3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.35438031
_cell_length_b 5.20992368
_cell_length_c 5.15605818
_cell_angle_alpha 75.61195373
_cell_angle_beta 52.57776616
_cell_angle_gamma 51.81028011
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 42 | 42 | # generated using pymatgen
data_Ca(BC3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16722200
_cell_length_b 8.92409999
_cell_length_c 9.04837200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,037 | 7,872 | mp-554960 | -2.35426 | 2.0469 | KMoPClO5 | 0 | ['Cl', 'K', 'Mo', 'O', 'P'] | # generated using pymatgen
data_KMoPClO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.55381400
_cell_length_b 6.55381400
_cell_length_c 7.43011900
_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_KMoPClO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.55381400
_cell_length_b 6.55381400
_cell_length_c 7.43011900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,038 | 42,985 | mvc-10905 | -2.453973 | 0.5543 | Ca3V2(BiO6)2 | 0.067582 | ['Bi', 'Ca', 'O', 'V'] | # generated using pymatgen
data_Ca3V2(BiO6)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.49920400
_cell_length_b 7.25376471
_cell_length_c 7.57785578
_cell_angle_alpha 102.78522479
_cell_angle_beta 92.74090630
_cell_angle_gamma 90.09844235
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 1 | 1 | # generated using pymatgen
data_Ca3V2(BiO6)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.49920400
_cell_length_b 7.25376471
_cell_length_c 7.57785578
_cell_angle_alpha 102.78522479
_cell_angle_beta 92.74090630
_cell_angle_gamma 90.09844235
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
27,039 | 32,160 | mp-1211344 | -2.570572 | 4.4071 | KSc(SO4)2 | 0.02427 | ['K', 'O', 'S', 'Sc'] | # generated using pymatgen
data_KSc(SO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04120337
_cell_length_b 5.04120337
_cell_length_c 8.66155400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999171
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 150 | 150 | # generated using pymatgen
data_KSc(SO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.04120337
_cell_length_b 5.04120337
_cell_length_c 8.66155400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
27,040 | 14 | mp-1105746 | -0.876095 | 0 | SmGaPd2 | 0 | ['Ga', 'Pd', 'Sm'] | # generated using pymatgen
data_SmGaPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.69005400
_cell_length_b 7.18623100
_cell_length_c 7.53474200
_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_SmGaPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.69005400
_cell_length_b 7.18623100
_cell_length_c 7.53474200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,041 | 15,733 | mp-1523079 | -2.93998 | 2.8167 | KBaGdWO6 | 0 | ['Ba', 'Gd', 'K', 'O', 'W'] | # generated using pymatgen
data_KBaGdWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.01967319
_cell_length_b 6.01967319
_cell_length_c 6.01967319
_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_KBaGdWO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.51310347
_cell_length_b 8.51310347
_cell_length_c 8.51310347
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,042 | 6,851 | mp-39033 | -2.205887 | 1.8986 | Sr(NdSe2)2 | 0 | ['Nd', 'Se', 'Sr'] | # generated using pymatgen
data_Sr(NdSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.85567347
_cell_length_b 7.85567347
_cell_length_c 7.85567347
_cell_angle_alpha 109.45450113
_cell_angle_beta 109.45450113
_cell_angle_gamma 109.50466482
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | 122 | 122 | # generated using pymatgen
data_Sr(NdSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.07282200
_cell_length_b 9.07282200
_cell_length_c 9.06720600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
27,043 | 33,526 | mp-1078815 | -0.899202 | 0 | NbSe4 | 0.029686 | ['Nb', 'Se'] | # generated using pymatgen
data_NbSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.97083200
_cell_length_b 5.97083200
_cell_length_c 6.52619000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | 124 | 124 | # generated using pymatgen
data_NbSe4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.97083200
_cell_length_b 5.97083200
_cell_length_c 6.52619000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... |
27,044 | 29,120 | mp-1186416 | -0.361427 | 0 | PaGa3 | 0.016999 | ['Ga', 'Pa'] | # generated using pymatgen
data_PaGa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.27631095
_cell_length_b 6.27631095
_cell_length_c 4.55765200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001002
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_PaGa3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.27631095
_cell_length_b 6.27631095
_cell_length_c 4.55765200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,045 | 19,619 | mp-1188807 | -2.921471 | 0 | Sr2CaReO6 | 0 | ['Ca', 'O', 'Re', 'Sr'] | # generated using pymatgen
data_Sr2CaReO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83662508
_cell_length_b 5.90053700
_cell_length_c 8.26326320
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.20748349
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 14 | 14 | # generated using pymatgen
data_Sr2CaReO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83662508
_cell_length_b 5.90053700
_cell_length_c 10.09942608
_cell_angle_alpha 90.00000000
_cell_angle_beta 125.09638460
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
27,046 | 8,961 | mp-865845 | -0.424093 | 0 | Yb2CuIr | 0 | ['Yb', 'Cu', 'Ir'] | # generated using pymatgen
data_Yb2CuIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.77997820
_cell_length_b 4.77997820
_cell_length_c 4.77997820
_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_Yb2CuIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.75991000
_cell_length_b 6.75991000
_cell_length_c 6.75991000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,047 | 24,190 | mp-1215615 | -0.989052 | 2.1691 | ZnCd(GaS2)4 | 0.006803 | ['Cd', 'Ga', 'S', 'Zn'] | # generated using pymatgen
data_ZnCd(GaS2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51050700
_cell_length_b 5.51050700
_cell_length_c 10.41210000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 81 | 81 | # generated using pymatgen
data_ZnCd(GaS2)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51050700
_cell_length_b 5.51050700
_cell_length_c 10.41210000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
27,048 | 44,519 | mp-1027473 | -1.051869 | 0.5505 | Mo3W(SeS)4 | 0.076004 | ['Mo', 'S', 'Se', 'W'] | # generated using pymatgen
data_Mo3W(SeS)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25704910
_cell_length_b 3.25704910
_cell_length_c 36.86000100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99998168
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 156 | 156 | # generated using pymatgen
data_Mo3W(SeS)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.25704910
_cell_length_b 3.25704910
_cell_length_c 36.86000100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
27,049 | 23,264 | mp-1227625 | -1.933135 | 0.8517 | Ca3Tl4O9 | 0.004873 | ['Ca', 'O', 'Tl'] | # generated using pymatgen
data_Ca3Tl4O9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89411913
_cell_length_b 5.89411913
_cell_length_c 12.45024753
_cell_angle_alpha 77.77813453
_cell_angle_beta 77.77813453
_cell_angle_gamma 33.45035935
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 8 | 8 | # generated using pymatgen
data_Ca3Tl4O9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.28955000
_cell_length_b 3.39243600
_cell_length_c 12.45024753
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.77065438
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
27,050 | 36,637 | mp-1185880 | -0.066456 | 0 | MgHg3 | 0.041186 | ['Hg', 'Mg'] | # generated using pymatgen
data_MgHg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59948600
_cell_length_b 4.59948600
_cell_length_c 4.59948600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... | 221 | 221 | # generated using pymatgen
data_MgHg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59948600
_cell_length_b 4.59948600
_cell_length_c 4.59948600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural M... |
27,051 | 32,942 | mp-764607 | -1.635606 | 1.4647 | LiV(TeO4)3 | 0.026324 | ['Li', 'O', 'Te', 'V'] | # generated using pymatgen
data_LiV(TeO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.42188300
_cell_length_b 4.92522800
_cell_length_c 5.20085385
_cell_angle_alpha 87.41878348
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 3 | 3 | # generated using pymatgen
data_LiV(TeO4)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92522800
_cell_length_b 8.42188300
_cell_length_c 5.20085385
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.58121652
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
27,052 | 21,686 | mp-1216612 | -0.817067 | 1.6643 | TlIn5S8 | 0.002005 | ['In', 'S', 'Tl'] | # generated using pymatgen
data_TlIn5S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.89305186
_cell_length_b 9.89305186
_cell_length_c 9.35323868
_cell_angle_alpha 77.58639240
_cell_angle_beta 77.58639240
_cell_angle_gamma 22.78831017
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 8 | 8 | # generated using pymatgen
data_TlIn5S8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 19.39614599
_cell_length_b 3.90889000
_cell_length_c 9.35323868
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.66728630
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
27,053 | 6,754 | mp-1479 | -0.407487 | 1.4662 | BP | 0 | ['B', 'P'] | # generated using pymatgen
data_BP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.21508443
_cell_length_b 3.21508443
_cell_length_c 3.21508443
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BP
_... | 216 | 216 | # generated using pymatgen
data_BP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54681601
_cell_length_b 4.54681601
_cell_length_c 4.54681601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BP
_... |
27,054 | 3,817 | mp-28670 | -2.288427 | 2.1057 | Ba2Bi2O5 | 0 | ['Ba', 'Bi', 'O'] | # generated using pymatgen
data_Ba2Bi2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.59682600
_cell_length_b 6.29630400
_cell_length_c 7.60207088
_cell_angle_alpha 79.59995661
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 14 | 14 | # generated using pymatgen
data_Ba2Bi2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.29630400
_cell_length_b 7.59682600
_cell_length_c 7.60207088
_cell_angle_alpha 90.00000000
_cell_angle_beta 100.40004339
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
27,055 | 14,724 | mp-13399 | -0.644836 | 0 | Lu(NiGe)2 | 0 | ['Lu', 'Ni', 'Ge'] | # generated using pymatgen
data_Lu(NiGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64791411
_cell_length_b 5.64791411
_cell_length_c 5.64791411
_cell_angle_alpha 138.29221362
_cell_angle_beta 138.29221362
_cell_angle_gamma 60.45575343
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Lu(NiGe)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02115800
_cell_length_b 4.02115800
_cell_length_c 9.75993401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... |
27,056 | 11,545 | mp-10877 | -0.266536 | 0 | Ca(Al2Cu)4 | 0 | ['Ca', 'Al', 'Cu'] | # generated using pymatgen
data_Ca(Al2Cu)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.77003006
_cell_length_b 6.77003006
_cell_length_c 6.77003006
_cell_angle_alpha 98.22516784
_cell_angle_beta 98.22516784
_cell_angle_gamma 135.55088219
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Ca(Al2Cu)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.86298200
_cell_length_b 8.86298200
_cell_length_c 5.12136000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
27,057 | 24,116 | mp-1184176 | -2.286134 | 1.7737 | DyScS3 | 0.006248 | ['Dy', 'S', 'Sc'] | # generated using pymatgen
data_DyScS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.36500200
_cell_length_b 7.00207800
_cell_length_c 9.55935500
_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_DyScS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.36500200
_cell_length_b 7.00207800
_cell_length_c 9.55935500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,058 | 891 | mp-643902 | -1.157182 | 3.1084 | SnH4(NF)2 | 0 | ['F', 'H', 'N', 'Sn'] | # generated using pymatgen
data_SnH4(NF)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67270509
_cell_length_b 5.67270509
_cell_length_c 5.10039365
_cell_angle_alpha 74.83236558
_cell_angle_beta 74.83236558
_cell_angle_gamma 33.85445645
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 12 | 12 | # generated using pymatgen
data_SnH4(NF)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.85387400
_cell_length_b 3.30329400
_cell_length_c 5.10039365
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.87222736
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
27,059 | 927 | mp-1187901 | -0.525414 | 0 | Yb2InPb | 0 | ['In', 'Pb', 'Yb'] | # generated using pymatgen
data_Yb2InPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.45769904
_cell_length_b 5.45769904
_cell_length_c 5.45769904
_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_Yb2InPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.71835200
_cell_length_b 7.71835200
_cell_length_c 7.71835200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,060 | 3,678 | mp-1218412 | -3.066602 | 1.7909 | Sr4TaFeO8 | 0 | ['Fe', 'O', 'Sr', 'Ta'] | # generated using pymatgen
data_Sr4TaFeO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.98165997
_cell_length_b 6.98165997
_cell_length_c 5.64112400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 132.31931768
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 65 | 65 | # generated using pymatgen
data_Sr4TaFeO8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64382600
_cell_length_b 12.77190400
_cell_length_c 5.64112400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
27,061 | 29,315 | mp-19885 | -0.90527 | 1.8944 | InGaS3 | 0.017178 | ['Ga', 'In', 'S'] | # generated using pymatgen
data_InGaS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.08237472
_cell_length_b 10.08237472
_cell_length_c 6.23336500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 158.23496641
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 36 | 36 | # generated using pymatgen
data_InGaS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80702000
_cell_length_b 19.80211400
_cell_length_c 6.23336500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,062 | 42,259 | mp-1229008 | -0.356083 | 0 | AgSbSe2 | 0.064831 | ['Ag', 'Sb', 'Se'] | # generated using pymatgen
data_AgSbSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09480100
_cell_length_b 4.09480100
_cell_length_c 5.78015000
_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_AgSbSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09480100
_cell_length_b 4.09480100
_cell_length_c 5.78015000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,063 | 1,483 | mp-893 | -0.897838 | 0 | ZrSi | 0 | ['Zr', 'Si'] | # generated using pymatgen
data_ZrSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80333100
_cell_length_b 5.32811800
_cell_length_c 7.03014600
_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_ZrSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80333100
_cell_length_b 5.32811800
_cell_length_c 7.03014600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr... |
27,064 | 36,444 | mp-770412 | -2.518296 | 0 | ScMn2O5 | 0.039516 | ['Mn', 'O', 'Sc'] | # generated using pymatgen
data_ScMn2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27431675
_cell_length_b 5.27431675
_cell_length_c 9.89139000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 135.53445207
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 63 | 63 | # generated using pymatgen
data_ScMn2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.99129000
_cell_length_b 9.76438799
_cell_length_c 9.89139000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,065 | 26,215 | mp-1222010 | -2.497395 | 2.7861 | MgTi(BiO3)2 | 0.010604 | ['Bi', 'Mg', 'O', 'Ti'] | # generated using pymatgen
data_MgTi(BiO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.72743882
_cell_length_b 5.72743882
_cell_length_c 5.72743911
_cell_angle_alpha 58.88222053
_cell_angle_beta 58.88222053
_cell_angle_gamma 58.88222662
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 146 | 146 | # generated using pymatgen
data_MgTi(BiO3)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.63040181
_cell_length_b 5.63040181
_cell_length_c 14.14665110
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
27,066 | 6,317 | mp-3950 | -0.410451 | 0 | ErInCu | 0 | ['Cu', 'Er', 'In'] | # generated using pymatgen
data_ErInCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.40207612
_cell_length_b 7.40207612
_cell_length_c 3.94778500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000111
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_ErInCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.40207612
_cell_length_b 7.40207612
_cell_length_c 3.94778500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,067 | 16,332 | mp-4899 | -0.501024 | 0.1926 | GaAgTe2 | 0 | ['Ga', 'Ag', 'Te'] | # generated using pymatgen
data_GaAgTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.65941105
_cell_length_b 7.65941105
_cell_length_c 7.65941105
_cell_angle_alpha 130.49822114
_cell_angle_beta 130.49822114
_cell_angle_gamma 72.61152272
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 122 | 122 | # generated using pymatgen
data_GaAgTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41359000
_cell_length_b 6.41359000
_cell_length_c 12.34495999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,068 | 43,630 | mp-1184712 | 0.071613 | 0 | GeAu3 | 0.071613 | ['Au', 'Ge'] | # generated using pymatgen
data_GeAu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76019234
_cell_length_b 5.76019234
_cell_length_c 5.16322400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000395
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 194 | 194 | # generated using pymatgen
data_GeAu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76019234
_cell_length_b 5.76019234
_cell_length_c 5.16322400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,069 | 13,710 | mp-12837 | -0.719225 | 0 | Er3FeSi3 | 0 | ['Er', 'Fe', 'Si'] | # generated using pymatgen
data_Er3FeSi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.59886529
_cell_length_b 5.59886529
_cell_length_c 13.39491136
_cell_angle_alpha 70.42414032
_cell_angle_beta 70.42414032
_cell_angle_gamma 43.30575135
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 12 | 12 | # generated using pymatgen
data_Er3FeSi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.40757800
_cell_length_b 4.13176600
_cell_length_c 13.39491136
_cell_angle_alpha 90.00000000
_cell_angle_beta 111.13043107
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
27,070 | 40,519 | mp-10287 | -0.672977 | 0 | RbMnTe2 | 0.057081 | ['Mn', 'Rb', 'Te'] | # generated using pymatgen
data_RbMnTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.01144970
_cell_length_b 8.01144970
_cell_length_c 8.01144970
_cell_angle_alpha 148.17027626
_cell_angle_beta 148.17027626
_cell_angle_gamma 45.63406642
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | 119 | 119 | # generated using pymatgen
data_RbMnTe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39361800
_cell_length_b 4.39361800
_cell_length_c 14.76907400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,071 | 5,020 | mp-1068398 | -0.502702 | 0 | Eu(GeAu)2 | 0 | ['Au', 'Eu', 'Ge'] | # generated using pymatgen
data_Eu(GeAu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.14625030
_cell_length_b 6.14625030
_cell_length_c 6.14625030
_cell_angle_alpha 136.80280016
_cell_angle_beta 136.80280016
_cell_angle_gamma 62.74160538
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Eu(GeAu)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52489200
_cell_length_b 4.52489200
_cell_length_c 10.49553599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
27,072 | 12,256 | mp-21446 | -0.372576 | 0 | BaPb3 | 0 | ['Ba', 'Pb'] | # generated using pymatgen
data_BaPb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.75840353
_cell_length_b 9.75840353
_cell_length_c 9.75840286
_cell_angle_alpha 44.81707367
_cell_angle_beta 44.81707367
_cell_angle_gamma 44.81707724
_symmetry_Int_Tables_number 1
_chemical_formula_structural B... | 166 | 166 | # generated using pymatgen
data_BaPb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.43996559
_cell_length_b 7.43996559
_cell_length_c 26.28647291
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,073 | 23,429 | mp-760432 | -0.828075 | 0.143 | Cu2O3 | 0.005054 | ['Cu', 'O'] | # generated using pymatgen
data_Cu2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.69282701
_cell_length_b 6.22719202
_cell_length_c 5.18778066
_cell_angle_alpha 84.21596216
_cell_angle_beta 53.64495042
_cell_angle_gamma 42.13908743
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | 43 | 43 | # generated using pymatgen
data_Cu2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.60871200
_cell_length_b 9.72776800
_cell_length_c 11.92010400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,074 | 24,616 | mp-1187798 | 0.007528 | 0 | Y3Ho | 0.007528 | ['Ho', 'Y'] | # generated using pymatgen
data_Y3Ho
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.23655348
_cell_length_b 7.23655348
_cell_length_c 5.75547100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999525
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... | 194 | 194 | # generated using pymatgen
data_Y3Ho
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.23655348
_cell_length_b 7.23655348
_cell_length_c 5.75547100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y... |
27,075 | 20,686 | mp-1220682 | -3.967777 | 6.8704 | NaYF4 | 0.000813 | ['F', 'Na', 'Y'] | # generated using pymatgen
data_NaYF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.84096500
_cell_length_b 3.84096500
_cell_length_c 5.55296400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | 123 | 123 | # generated using pymatgen
data_NaYF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.84096500
_cell_length_b 3.84096500
_cell_length_c 5.55296400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... |
27,076 | 39,168 | mp-1215365 | -0.422327 | 0 | Zr5AlNi4 | 0.050746 | ['Al', 'Ni', 'Zr'] | # generated using pymatgen
data_Zr5AlNi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.24026700
_cell_length_b 7.24026700
_cell_length_c 6.61255100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 118 | 118 | # generated using pymatgen
data_Zr5AlNi4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.24026700
_cell_length_b 7.24026700
_cell_length_c 6.61255100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,077 | 12,407 | mp-755013 | -2.654222 | 3.72 | Li5TaO5 | 0 | ['Li', 'Ta', 'O'] | # generated using pymatgen
data_Li5TaO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33430472
_cell_length_b 5.33430472
_cell_length_c 5.88051403
_cell_angle_alpha 72.63352557
_cell_angle_beta 72.63352557
_cell_angle_gamma 44.40169620
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 12 | 12 | # generated using pymatgen
data_Li5TaO5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.87769199
_cell_length_b 4.03118200
_cell_length_c 5.88051403
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.80705105
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,078 | 43,701 | mp-1220611 | -0.688349 | 0 | Nb3V5(B2Ir)4 | 0.073036 | ['B', 'Ir', 'Nb', 'V'] | # generated using pymatgen
data_Nb3V5(B2Ir)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.21678500
_cell_length_b 7.31841700
_cell_length_c 9.35885874
_cell_angle_alpha 89.86049579
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | 6 | 6 | # generated using pymatgen
data_Nb3V5(B2Ir)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.31841700
_cell_length_b 3.21678500
_cell_length_c 9.35885874
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.13950421
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... |
27,079 | 37,311 | mp-1518460 | -3.353038 | 0.1223 | BaNdEuNbO6 | 0.042413 | ['Ba', 'Eu', 'Nb', 'Nd', 'O'] | # generated using pymatgen
data_BaNdEuNbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.05163305
_cell_length_b 6.11131204
_cell_length_c 8.60092678
_cell_angle_alpha 90.50378083
_cell_angle_beta 89.62740244
_cell_angle_gamma 89.70776208
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | 2 | 2 | # generated using pymatgen
data_BaNdEuNbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.05163305
_cell_length_b 6.11131204
_cell_length_c 8.60092678
_cell_angle_alpha 90.50378083
_cell_angle_beta 90.37259756
_cell_angle_gamma 90.29223792
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
27,080 | 23,057 | mp-1112000 | -2.258641 | 3.61 | Cs2ScTlCl6 | 0.004453 | ['Cl', 'Cs', 'Sc', 'Tl'] | # generated using pymatgen
data_Cs2ScTlCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.92370000
_cell_length_b 7.92370000
_cell_length_c 7.92370000
_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_Cs2ScTlCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.20580400
_cell_length_b 11.20580400
_cell_length_c 11.20580400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... |
27,081 | 2,629 | mp-1205569 | -3.175002 | 1.0328 | Ba2UInO6 | 0 | ['Ba', 'In', 'O', 'U'] | # generated using pymatgen
data_Ba2UInO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.12979838
_cell_length_b 6.12979838
_cell_length_c 6.12979838
_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_Ba2UInO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.66884400
_cell_length_b 8.66884400
_cell_length_c 8.66884400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,082 | 15,841 | mp-3338 | -2.221482 | 2.86 | NaGaO2 | 0 | ['Ga', 'Na', 'O'] | # generated using pymatgen
data_NaGaO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38957600
_cell_length_b 5.61379500
_cell_length_c 7.23771300
_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_NaGaO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38957600
_cell_length_b 5.61379500
_cell_length_c 7.23771300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,083 | 16,255 | mp-22341 | -2.759999 | 1.1056 | PrFeO3 | 0 | ['Fe', 'O', 'Pr'] | # generated using pymatgen
data_PrFeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53827400
_cell_length_b 5.69721700
_cell_length_c 7.90274100
_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_PrFeO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53827400
_cell_length_b 5.69721700
_cell_length_c 7.90274100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,084 | 13,779 | mp-28613 | -0.512941 | 0 | LiBPt3 | 0 | ['B', 'Li', 'Pt'] | # generated using pymatgen
data_LiBPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.33617772
_cell_length_b 9.33617772
_cell_length_c 2.80586200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999802
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_LiBPt3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.33617772
_cell_length_b 9.33617772
_cell_length_c 2.80586200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,085 | 12,808 | mp-37692 | -1.940142 | 0 | Li3RuO4 | 0 | ['Li', 'O', 'Ru'] | # generated using pymatgen
data_Li3RuO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94067600
_cell_length_b 5.13099400
_cell_length_c 5.18208937
_cell_angle_alpha 69.91762702
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 13 | 13 | # generated using pymatgen
data_Li3RuO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13099400
_cell_length_b 5.94067600
_cell_length_c 5.18208937
_cell_angle_alpha 90.00000000
_cell_angle_beta 110.08237298
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,086 | 3,545 | mp-1087496 | -1.700742 | 0 | NpCuPO | 0 | ['Cu', 'Np', 'O', 'P'] | # generated using pymatgen
data_NpCuPO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.76935100
_cell_length_b 3.76935100
_cell_length_c 8.19025500
_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_NpCuPO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.76935100
_cell_length_b 3.76935100
_cell_length_c 8.19025500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,087 | 3,747 | mp-18014 | -0.123432 | 0 | Th7Fe3 | 0 | ['Fe', 'Th'] | # generated using pymatgen
data_Th7Fe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.68330601
_cell_length_b 9.68330601
_cell_length_c 6.23407600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000007
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 186 | 186 | # generated using pymatgen
data_Th7Fe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.68330601
_cell_length_b 9.68330601
_cell_length_c 6.23407600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,088 | 1,637 | mp-1206830 | -0.388139 | 0 | Cs(CoAs)2 | 0 | ['As', 'Co', 'Cs'] | # generated using pymatgen
data_Cs(CoAs)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.98276822
_cell_length_b 7.98276822
_cell_length_c 7.98276822
_cell_angle_alpha 152.24376693
_cell_angle_beta 152.24376693
_cell_angle_gamma 39.65742823
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Cs(CoAs)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82945000
_cell_length_b 3.82945000
_cell_length_c 15.01895400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
27,089 | 40,176 | mp-1218500 | -2.622846 | 0 | Sr3LaMn4O12 | 0.056203 | ['La', 'Mn', 'O', 'Sr'] | # generated using pymatgen
data_Sr3LaMn4O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51505328
_cell_length_b 5.47914154
_cell_length_c 7.81878405
_cell_angle_alpha 90.58526004
_cell_angle_beta 90.00085081
_cell_angle_gamma 89.94291591
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 3 | 3 | # generated using pymatgen
data_Sr3LaMn4O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.47914154
_cell_length_b 5.51505328
_cell_length_c 7.81878405
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.58526004
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... |
27,090 | 21,026 | mp-1091399 | 0.001272 | 1.4608 | O2 | 0.001272 | ['O'] | # generated using pymatgen
data_O2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26251000
_cell_length_b 4.26251000
_cell_length_c 8.98031800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural O2
_... | 92 | 92 | # generated using pymatgen
data_O2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26251000
_cell_length_b 4.26251000
_cell_length_c 8.98031800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural O2
_... |
27,091 | 40,527 | mp-1076534 | -2.9775 | 2.0617 | RbTaO3 | 0.056662 | ['O', 'Rb', 'Ta'] | # generated using pymatgen
data_RbTaO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07122000
_cell_length_b 4.07122000
_cell_length_c 4.07122000
_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_RbTaO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.07122000
_cell_length_b 4.07122000
_cell_length_c 4.07122000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,092 | 42,369 | mp-752971 | -2.570149 | 3.8853 | Li4VO4F | 0.065237 | ['F', 'Li', 'O', 'V'] | # generated using pymatgen
data_Li4VO4F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.41238800
_cell_length_b 5.13342600
_cell_length_c 5.54866708
_cell_angle_alpha 63.30732251
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 4 | 4 | # generated using pymatgen
data_Li4VO4F
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13342600
_cell_length_b 9.41238800
_cell_length_c 5.54866708
_cell_angle_alpha 90.00000000
_cell_angle_beta 116.69267749
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,093 | 36,159 | mp-1209923 | -0.279951 | 0 | Nd(Ga2Fe)4 | 0.039483 | ['Fe', 'Ga', 'Nd'] | # generated using pymatgen
data_Nd(Ga2Fe)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.71183773
_cell_length_b 6.71183773
_cell_length_c 6.71183773
_cell_angle_alpha 98.24778924
_cell_angle_beta 98.24778924
_cell_angle_gamma 135.48697779
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | 139 | 139 | # generated using pymatgen
data_Nd(Ga2Fe)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.78479601
_cell_length_b 8.78479601
_cell_length_c 5.08426800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... |
27,094 | 38,649 | mp-1206401 | -0.372965 | 0 | LaRh3C | 0.047709 | ['C', 'La', 'Rh'] | # generated using pymatgen
data_LaRh3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26694500
_cell_length_b 4.26694500
_cell_length_c 4.26694500
_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_LaRh3C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26694500
_cell_length_b 4.26694500
_cell_length_c 4.26694500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,095 | 18,272 | mp-21232 | -0.753902 | 0 | TmInRh | 0 | ['In', 'Rh', 'Tm'] | # generated using pymatgen
data_TmInRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.49205975
_cell_length_b 7.49205975
_cell_length_c 3.89102600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999781
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 189 | 189 | # generated using pymatgen
data_TmInRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.49205975
_cell_length_b 7.49205975
_cell_length_c 3.89102600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,096 | 30,751 | mp-1226466 | -0.701624 | 0 | CeYRh4 | 0.020758 | ['Ce', 'Rh', 'Y'] | # generated using pymatgen
data_CeYRh4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36908866
_cell_length_b 5.36908866
_cell_length_c 5.36908866
_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_CeYRh4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.59303800
_cell_length_b 7.59303800
_cell_length_c 7.59303800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,097 | 29,715 | mp-1217257 | -0.671651 | 0 | TePtSe | 0.018537 | ['Pt', 'Se', 'Te'] | # generated using pymatgen
data_TePtSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.95850261
_cell_length_b 3.95850261
_cell_length_c 5.29542300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001023
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 156 | 156 | # generated using pymatgen
data_TePtSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.95850261
_cell_length_b 3.95850261
_cell_length_c 5.29542300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,098 | 21,828 | mp-28253 | -1.840104 | 2.509 | LiBiO2 | 0.001961 | ['Bi', 'Li', 'O'] | # generated using pymatgen
data_LiBiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.98018937
_cell_length_b 9.98018937
_cell_length_c 9.98018937
_cell_angle_alpha 152.39855850
_cell_angle_beta 148.90691470
_cell_angle_gamma 42.05335983
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 72 | 72 | # generated using pymatgen
data_LiBiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76146200
_cell_length_b 5.34980200
_cell_length_c 18.63128599
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... |
27,099 | 40,552 | mp-1102542 | -0.644184 | 0 | Hf4NiP | 0.057045 | ['Hf', 'Ni', 'P'] | # generated using pymatgen
data_Hf4NiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.42549400
_cell_length_b 6.42549400
_cell_length_c 5.24044300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | 124 | 124 | # generated using pymatgen
data_Hf4NiP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.42549400
_cell_length_b 6.42549400
_cell_length_c 5.24044300
_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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