Datasets:
bi0s
/
mol_ae_data

Dataset card Data Studio Files
xet
 Community
1
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int64
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27.1k
Unnamed: 0
int64
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45.2k
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band_gap
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elements
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cif
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spacegroup.number
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spacegroup.number.conv
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cif.conv
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696
5.07k
23,000
23,011
mp-1020108
-1.173222
2.9176
LiCaMgSiN3
0.004206
['Ca', 'Li', 'Mg', 'N', 'Si']
# generated using pymatgen data_LiCaMgSiN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68208005 _cell_length_b 5.68208005 _cell_length_c 6.03614599 _cell_angle_alpha 86.44217211 _cell_angle_beta 86.44217211 _cell_angle_gamma 121.08631949 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
12
12
# generated using pymatgen data_LiCaMgSiN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58852800 _cell_length_b 9.89507400 _cell_length_c 6.03614599 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.24945075 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,001
24,298
mp-1314210
-1.216324
0.3314
Li(NiO2)2
0.006694
['Li', 'Ni', 'O']
# generated using pymatgen data_Li(NiO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65895292 _cell_length_b 5.79474134 _cell_length_c 5.78809289 _cell_angle_alpha 58.21824622 _cell_angle_beta 60.79778568 _cell_angle_gamma 60.69830317 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
74
74
# generated using pymatgen data_Li(NiO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63475653 _cell_length_b 5.65895292 _cell_length_c 8.38906373 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,002
17,074
mp-1105572
-0.084946
0
Ce2Co17
0
['Ce', 'Co']
# generated using pymatgen data_Ce2Co17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.30282351 _cell_length_b 6.30282351 _cell_length_c 6.30282337 _cell_angle_alpha 83.08561440 _cell_angle_beta 83.08561440 _cell_angle_gamma 83.08561713 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_Ce2Co17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.35980585 _cell_length_b 8.35980585 _cell_length_c 12.16023001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,003
26,839
mp-2739
-1.483627
2.8949
TeO2
0.011077
['Te', 'O']
# generated using pymatgen data_TeO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96887500 _cell_length_b 4.96887500 _cell_length_c 7.62578400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te...
96
96
# generated using pymatgen data_TeO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96887500 _cell_length_b 4.96887500 _cell_length_c 7.62578400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Te...
23,004
1,587
mp-1111695
-3.087893
4.4333
K3CrF6
0
['Cr', 'F', 'K']
# generated using pymatgen data_K3CrF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29853527 _cell_length_b 6.29853527 _cell_length_c 6.29853527 _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_K3CrF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.90747400 _cell_length_b 8.90747400 _cell_length_c 8.90747400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,005
1,529
mp-1078348
-0.685331
0
CeGa3Pd
0
['Ce', 'Ga', 'Pd']
# generated using pymatgen data_CeGa3Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06477194 _cell_length_b 6.06477194 _cell_length_c 5.91580200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 116.26697771 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_CeGa3Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40369600 _cell_length_b 10.30138400 _cell_length_c 5.91580200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,006
24,445
mp-7589
-1.994622
2.3105
Mg2NF
0.006495
['Mg', 'N', 'F']
# generated using pymatgen data_Mg2NF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90032634 _cell_length_b 5.90032634 _cell_length_c 5.90032634 _cell_angle_alpha 138.09095435 _cell_angle_beta 138.09095435 _cell_angle_gamma 60.76372634 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
141
141
# generated using pymatgen data_Mg2NF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22023000 _cell_length_b 4.22023000 _cell_length_c 10.18011400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,007
39,671
mp-1215961
-0.244518
0
YFeNi4
0.052617
['Fe', 'Ni', 'Y']
# generated using pymatgen data_YFeNi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94918171 _cell_length_b 4.94918171 _cell_length_c 3.92439800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999606 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
187
187
# generated using pymatgen data_YFeNi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94918171 _cell_length_b 4.94918171 _cell_length_c 3.92439800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,008
42,310
mp-19071
-2.072677
0.772
Co2SiO4
0.063716
['Co', 'O', 'Si']
# generated using pymatgen data_Co2SiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80591519 _cell_length_b 5.80591519 _cell_length_c 5.80591519 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
227
227
# generated using pymatgen data_Co2SiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.21080400 _cell_length_b 8.21080400 _cell_length_c 8.21080400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,009
13,133
mp-1189563
-1.441887
0.6665
CsCoO2
0
['Co', 'Cs', 'O']
# generated using pymatgen data_CsCoO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11921688 _cell_length_b 7.06248742 _cell_length_c 8.30818027 _cell_angle_alpha 89.13437818 _cell_angle_beta 88.00154849 _cell_angle_gamma 64.32794220 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
15
15
# generated using pymatgen data_CsCoO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11921688 _cell_length_b 12.73067601 _cell_length_c 8.30818027 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.99845151 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,010
36,516
mp-1077744
-0.364615
0
SmCuPb
0.040098
['Cu', 'Pb', 'Sm']
# generated using pymatgen data_SmCuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61880931 _cell_length_b 4.61880931 _cell_length_c 7.71318500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999013 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_SmCuPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61880931 _cell_length_b 4.61880931 _cell_length_c 7.71318500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,011
9,865
mp-558378
-0.339516
0
Pd3S
0
['Pd', 'S']
# generated using pymatgen data_Pd3S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61511107 _cell_length_b 4.61511107 _cell_length_c 6.37443000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.99141312 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
63
63
# generated using pymatgen data_Pd3S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42594800 _cell_length_b 7.46700000 _cell_length_c 6.37443000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pd...
23,012
21,642
mp-1189825
-1.928871
0
Tb6RhBr10
0.001773
['Br', 'Rh', 'Tb']
# generated using pymatgen data_Tb6RhBr10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.41962300 _cell_length_b 9.26469167 _cell_length_c 9.29469183 _cell_angle_alpha 108.32307817 _cell_angle_beta 97.16192755 _cell_angle_gamma 105.42795973 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
2
2
# generated using pymatgen data_Tb6RhBr10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.41962300 _cell_length_b 9.26469167 _cell_length_c 9.29469183 _cell_angle_alpha 108.32307817 _cell_angle_beta 97.16192755 _cell_angle_gamma 105.42795973 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,013
3,567
mp-1103822
-2.428443
1.9464
YbWClO4
0
['Cl', 'O', 'W', 'Yb']
# generated using pymatgen data_YbWClO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64100018 _cell_length_b 7.04438741 _cell_length_c 7.11921575 _cell_angle_alpha 75.35623872 _cell_angle_beta 78.70828217 _cell_angle_gamma 61.46487717 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
2
2
# generated using pymatgen data_YbWClO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64100018 _cell_length_b 7.00222897 _cell_length_c 7.11921575 _cell_angle_alpha 93.93514138 _cell_angle_beta 101.29171783 _cell_angle_gamma 117.89410216 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,014
12,349
mp-554252
-3.12436
4.2623
K2NaCrF6
0
['K', 'Na', 'Cr', 'F']
# generated using pymatgen data_K2NaCrF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96173324 _cell_length_b 5.96173324 _cell_length_c 5.96173324 _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_K2NaCrF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.43116400 _cell_length_b 8.43116400 _cell_length_c 8.43116400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,015
44,984
mvc-11612
-1.904358
0
Mn2ZnO4
0.077967
['Mn', 'O', 'Zn']
# generated using pymatgen data_Mn2ZnO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07841717 _cell_length_b 6.07841717 _cell_length_c 6.07841717 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
227
227
# generated using pymatgen data_Mn2ZnO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.59618000 _cell_length_b 8.59618000 _cell_length_c 8.59618000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,016
32,475
mp-983429
-0.219281
0
PmDyRu2
0.025599
['Dy', 'Pm', 'Ru']
# generated using pymatgen data_PmDyRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87577279 _cell_length_b 4.87577279 _cell_length_c 4.87577279 _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_PmDyRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.89538401 _cell_length_b 6.89538401 _cell_length_c 6.89538401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,017
23,577
mp-1183640
-0.284689
0
CdHgPd2
0.005209
['Cd', 'Hg', 'Pd']
# generated using pymatgen data_CdHgPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66489657 _cell_length_b 4.66489657 _cell_length_c 4.66489657 _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_CdHgPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59716000 _cell_length_b 6.59716000 _cell_length_c 6.59716000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,018
45,179
mp-754093
-3.092844
0
Gd2CdO4
0.07951
['Cd', 'Gd', 'O']
# generated using pymatgen data_Gd2CdO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.88897509 _cell_length_b 6.88897509 _cell_length_c 6.88897509 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
227
227
# generated using pymatgen data_Gd2CdO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.74248200 _cell_length_b 9.74248200 _cell_length_c 9.74248200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,019
20,799
mp-27475
-1.292547
1.9711
WSCl4
0.000974
['W', 'S', 'Cl']
# generated using pymatgen data_WSCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69346900 _cell_length_b 7.97801784 _cell_length_c 8.37600849 _cell_angle_alpha 102.29011308 _cell_angle_beta 104.14715806 _cell_angle_gamma 87.52024460 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
2
2
# generated using pymatgen data_WSCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69346900 _cell_length_b 7.97801784 _cell_length_c 8.37600849 _cell_angle_alpha 102.29011308 _cell_angle_beta 104.14715806 _cell_angle_gamma 87.52024460 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,020
40,154
mp-1216370
-0.84735
0
VCuSnS4
0.055007
['Cu', 'S', 'Sn', 'V']
# generated using pymatgen data_VCuSnS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.28047057 _cell_length_b 7.01888050 _cell_length_c 7.39708364 _cell_angle_alpha 90.00000000 _cell_angle_beta 59.46872416 _cell_angle_gamma 118.81838325 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
74
74
# generated using pymatgen data_VCuSnS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01888050 _cell_length_b 7.39708364 _cell_length_c 10.39420401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,021
44,475
mp-976277
-0.326808
0
Nd(NiBi)2
0.073999
['Bi', 'Nd', 'Ni']
# generated using pymatgen data_Nd(NiBi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68263700 _cell_length_b 4.68263700 _cell_length_c 10.20726800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
129
129
# generated using pymatgen data_Nd(NiBi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68263700 _cell_length_b 4.68263700 _cell_length_c 10.20726800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,022
31,759
mp-1227047
0.022988
0
CaYb3
0.022988
['Ca', 'Yb']
# generated using pymatgen data_CaYb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.61948036 _cell_length_b 6.61948036 _cell_length_c 6.61948036 _cell_angle_alpha 130.77853276 _cell_angle_beta 130.77853276 _cell_angle_gamma 72.16518100 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_CaYb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51338000 _cell_length_b 5.51338000 _cell_length_c 10.69931600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,023
23,783
mp-13516
-3.253368
5.684
TmAl3(BO3)4
0.005908
['Al', 'B', 'O', 'Tm']
# generated using pymatgen data_TmAl3(BO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91260939 _cell_length_b 5.91260939 _cell_length_c 5.91260903 _cell_angle_alpha 104.33874635 _cell_angle_beta 104.33874635 _cell_angle_gamma 104.33874097 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
155
155
# generated using pymatgen data_TmAl3(BO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.33988003 _cell_length_b 9.33988003 _cell_length_c 7.27533214 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,024
17,095
mp-11603
-1.877385
1.0327
KNd2CuS4
0
['Cu', 'K', 'Nd', 'S']
# generated using pymatgen data_KNd2CuS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.25824558 _cell_length_b 7.25824558 _cell_length_c 14.03878100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 147.40902869 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
63
63
# generated using pymatgen data_KNd2CuS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07319800 _cell_length_b 13.93332601 _cell_length_c 14.03878100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,025
33,694
mp-1216956
-2.000634
1.7652
TiFe2Bi2PbO9
0.029159
['Bi', 'Fe', 'O', 'Pb', 'Ti']
# generated using pymatgen data_TiFe2Bi2PbO9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76547100 _cell_length_b 5.40211337 _cell_length_c 8.51321242 _cell_angle_alpha 108.49839637 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
35
35
# generated using pymatgen data_TiFe2Bi2PbO9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40211337 _cell_length_b 16.14671264 _cell_length_c 4.76547100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
23,026
39,952
mp-770192
-2.20257
0.4488
Li2CrO3
0.053744
['Cr', 'Li', 'O']
# generated using pymatgen data_Li2CrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02372488 _cell_length_b 5.02372488 _cell_length_c 4.99943360 _cell_angle_alpha 79.25869654 _cell_angle_beta 79.25869654 _cell_angle_gamma 118.27359371 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
9
9
# generated using pymatgen data_Li2CrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15424200 _cell_length_b 8.62467600 _cell_length_c 4.99943360 _cell_angle_alpha 90.00000000 _cell_angle_beta 111.30367296 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,027
43,547
mp-1094239
-0.021704
0
MgSn2
0.071865
['Mg', 'Sn']
# generated using pymatgen data_MgSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94339099 _cell_length_b 5.94339099 _cell_length_c 8.02933055 _cell_angle_alpha 68.45982877 _cell_angle_beta 68.45982877 _cell_angle_gamma 36.30724927 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...
12
12
# generated using pymatgen data_MgSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.29511200 _cell_length_b 3.70351600 _cell_length_c 8.02933055 _cell_angle_alpha 90.00000000 _cell_angle_beta 112.72981248 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,028
11,537
mp-1080127
-0.402999
0
YbCdPb
0
['Cd', 'Pb', 'Yb']
# generated using pymatgen data_YbCdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.80256654 _cell_length_b 7.80256654 _cell_length_c 4.79310700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000462 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
189
189
# generated using pymatgen data_YbCdPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.80256654 _cell_length_b 7.80256654 _cell_length_c 4.79310700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,029
42,974
mp-979273
-0.226435
0
TePd3
0.067971
['Te', 'Pd']
# generated using pymatgen data_TePd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88582463 _cell_length_b 4.88582463 _cell_length_c 4.88582463 _cell_angle_alpha 128.84215851 _cell_angle_beta 128.84215851 _cell_angle_gamma 75.26468024 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_TePd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21894800 _cell_length_b 4.21894800 _cell_length_c 7.73861000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
23,030
31,461
mp-867140
-0.299107
0
SmZn2Ag
0.021872
['Ag', 'Sm', 'Zn']
# generated using pymatgen data_SmZn2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80846188 _cell_length_b 4.80846188 _cell_length_c 4.80846188 _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_SmZn2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.80019200 _cell_length_b 6.80019200 _cell_length_c 6.80019200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,031
8,809
mp-23667
-2.189048
5.237
RbP(HO2)2
0
['H', 'O', 'P', 'Rb']
# generated using pymatgen data_RbP(HO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.79098956 _cell_length_b 6.65356087 _cell_length_c 6.60119496 _cell_angle_alpha 71.99919188 _cell_angle_beta 54.31196333 _cell_angle_gamma 53.68884479 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
43
43
# generated using pymatgen data_RbP(HO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.36832800 _cell_length_b 10.95494601 _cell_length_c 11.08094000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,032
11,140
mp-1206055
-0.50879
0
NdSi2Ag
0
['Ag', 'Nd', 'Si']
# generated using pymatgen data_NdSi2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23599200 _cell_length_b 4.20863500 _cell_length_c 9.10099686 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.45734034 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_NdSi2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23599200 _cell_length_b 17.70223001 _cell_length_c 4.20863500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,033
29,134
mp-1187712
0.017269
0
TmZr3
0.017269
['Tm', 'Zr']
# generated using pymatgen data_TmZr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63344622 _cell_length_b 6.63344622 _cell_length_c 5.20788100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000215 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_TmZr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63344622 _cell_length_b 6.63344622 _cell_length_c 5.20788100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,034
20,745
mp-12546
-0.09325
0
TiCu3
0.000705
['Ti', 'Cu']
# generated using pymatgen data_TiCu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30773800 _cell_length_b 4.43013200 _cell_length_c 5.42695300 _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_TiCu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30773800 _cell_length_b 4.43013200 _cell_length_c 5.42695300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
23,035
66
mp-866163
-0.730646
0
YInRh2
0
['Y', 'In', 'Rh']
# generated using pymatgen data_YInRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71827748 _cell_length_b 4.71827748 _cell_length_c 4.71827748 _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_YInRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67265200 _cell_length_b 6.67265200 _cell_length_c 6.67265200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,036
13,756
mp-22075
-0.430605
0
In7Pt3
0
['In', 'Pt']
# generated using pymatgen data_In7Pt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.31642463 _cell_length_b 8.31642463 _cell_length_c 8.31642463 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
229
229
# generated using pymatgen data_In7Pt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.60298000 _cell_length_b 9.60298000 _cell_length_c 9.60298000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,037
12,604
mp-1187073
0
0
Sr
0
['Sr']
# generated using pymatgen data_Sr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.72823703 _cell_length_b 10.72823703 _cell_length_c 10.72823704 _cell_angle_alpha 22.82768399 _cell_angle_beta 22.82768399 _cell_angle_gamma 22.82767941 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
166
166
# generated using pymatgen data_Sr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24611042 _cell_length_b 4.24611042 _cell_length_c 31.33316556 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr...
23,038
10,145
mp-1207868
-3.263974
0.9267
UAgF6
0
['Ag', 'F', 'U']
# generated using pymatgen data_UAgF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40780900 _cell_length_b 5.40780900 _cell_length_c 9.21894200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural U...
132
132
# generated using pymatgen data_UAgF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40780900 _cell_length_b 5.40780900 _cell_length_c 9.21894200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural U...
23,039
31,960
mp-972396
-0.299577
0
Ti2MnRe
0.022899
['Ti', 'Mn', 'Re']
# generated using pymatgen data_Ti2MnRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32861356 _cell_length_b 4.32861356 _cell_length_c 4.32861356 _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_Ti2MnRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.12158400 _cell_length_b 6.12158400 _cell_length_c 6.12158400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,040
35,295
mp-1299651
-2.034671
0.5013
LiMn3O4
0.034865
['Li', 'Mn', 'O']
# generated using pymatgen data_LiMn3O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16602943 _cell_length_b 6.28579757 _cell_length_c 8.65174190 _cell_angle_alpha 89.99999328 _cell_angle_beta 89.99997720 _cell_angle_gamma 91.42309089 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
5
5
# generated using pymatgen data_LiMn3O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.28579757 _cell_length_b 8.65174190 _cell_length_c 3.16602943 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.42309089 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,041
38,551
mp-1103814
-0.52435
0
K5(CN2)3
0.048843
['C', 'K', 'N']
# generated using pymatgen data_K5(CN2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.99635770 _cell_length_b 6.99635770 _cell_length_c 6.99635770 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
229
229
# generated using pymatgen data_K5(CN2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.07869800 _cell_length_b 8.07869800 _cell_length_c 8.07869800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,042
29,992
mp-998418
-2.773122
2.1901
MgAgF3
0.018143
['Mg', 'Ag', 'F']
# generated using pymatgen data_MgAgF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62783170 _cell_length_b 5.62783170 _cell_length_c 5.62783139 _cell_angle_alpha 59.84229845 _cell_angle_beta 59.84229845 _cell_angle_gamma 59.84230376 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
167
167
# generated using pymatgen data_MgAgF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61441170 _cell_length_b 5.61441170 _cell_length_c 13.80172249 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,043
23,504
mp-1019
-0.417366
0
YNi2
0.005394
['Y', 'Ni']
# generated using pymatgen data_YNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07338085 _cell_length_b 5.07338085 _cell_length_c 5.07338085 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YN...
227
227
# generated using pymatgen data_YNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.17484401 _cell_length_b 7.17484401 _cell_length_c 7.17484401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YN...
23,044
30,150
mp-1212195
-0.99957
0
Ho5SbPt2
0.019824
['Ho', 'Pt', 'Sb']
# generated using pymatgen data_Ho5SbPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.75605907 _cell_length_b 8.75605907 _cell_length_c 8.75605907 _cell_angle_alpha 127.69667315 _cell_angle_beta 127.69667315 _cell_angle_gamma 77.11692326 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
140
140
# generated using pymatgen data_Ho5SbPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.71844400 _cell_length_b 7.71844400 _cell_length_c 13.69399599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,045
39,989
mvc-13015
-1.597511
0
Cu3(SnO3)4
0.052016
['Cu', 'O', 'Sn']
# generated using pymatgen data_Cu3(SnO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66629117 _cell_length_b 6.66629117 _cell_length_c 6.66629117 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
204
204
# generated using pymatgen data_Cu3(SnO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.69757000 _cell_length_b 7.69757000 _cell_length_c 7.69757000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,046
6,654
mp-1206854
-1.019812
0
TiMnP
0
['Mn', 'P', 'Ti']
# generated using pymatgen data_TiMnP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19924778 _cell_length_b 6.19924778 _cell_length_c 3.38000600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999767 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
189
189
# generated using pymatgen data_TiMnP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19924778 _cell_length_b 6.19924778 _cell_length_c 3.38000600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,047
28,542
mp-1103171
-0.53388
0
UB4Mo
0.015617
['B', 'Mo', 'U']
# generated using pymatgen data_UB4Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67240800 _cell_length_b 5.94484244 _cell_length_c 5.94484244 _cell_angle_alpha 103.78941931 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
65
65
# generated using pymatgen data_UB4Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.33722600 _cell_length_b 9.35573200 _cell_length_c 3.67240800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural U...
23,048
23,333
mp-2874
-2.685228
2.7065
In2Si2O7
0.004626
['In', 'Si', 'O']
# generated using pymatgen data_In2Si2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51872150 _cell_length_b 5.51872150 _cell_length_c 4.76372237 _cell_angle_alpha 82.19679722 _cell_angle_beta 82.19679722 _cell_angle_gamma 104.98614838 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
12
12
# generated using pymatgen data_In2Si2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.72022801 _cell_length_b 8.75578001 _cell_length_c 4.76372237 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.88489053 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,049
41,577
mp-1112517
-2.00274
3.471
Cs2RbGaCl6
0.061636
['Cl', 'Cs', 'Ga', 'Rb']
# generated using pymatgen data_Cs2RbGaCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.84017372 _cell_length_b 7.84017372 _cell_length_c 7.84017372 _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_Cs2RbGaCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.08768001 _cell_length_b 11.08768001 _cell_length_c 11.08768001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
23,050
8,831
mp-29417
-1.963831
3.3749
Na3ScBr6
0
['Br', 'Na', 'Sc']
# generated using pymatgen data_Na3ScBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.40389375 _cell_length_b 7.40389375 _cell_length_c 13.24503400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999775 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
163
163
# generated using pymatgen data_Na3ScBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.40389375 _cell_length_b 7.40389375 _cell_length_c 13.24503400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,051
23,404
mp-6114
-1.143792
0
La3Ni2B2N3
0.004734
['B', 'La', 'N', 'Ni']
# generated using pymatgen data_La3Ni2B2N3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.31581579 _cell_length_b 10.31581579 _cell_length_c 10.31581579 _cell_angle_alpha 158.95865097 _cell_angle_beta 158.95865097 _cell_angle_gamma 29.92913957 _symmetry_Int_Tables_number 1 _chemical_formula_stru...
139
139
# generated using pymatgen data_La3Ni2B2N3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76713600 _cell_length_b 3.76713600 _cell_length_c 19.93192400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,052
15,027
mp-10767
-2.795254
0
CsK2Yb(PO4)2
0
['Cs', 'K', 'O', 'P', 'Yb']
# generated using pymatgen data_CsK2Yb(PO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82578765 _cell_length_b 5.82578765 _cell_length_c 7.81361300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999602 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
164
164
# generated using pymatgen data_CsK2Yb(PO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82578765 _cell_length_b 5.82578765 _cell_length_c 7.81361300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
23,053
35,517
mp-10437
-1.036974
0.4089
Ba(CuSe)2
0.037517
['Ba', 'Cu', 'Se']
# generated using pymatgen data_Ba(CuSe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19758226 _cell_length_b 7.19758226 _cell_length_c 7.19758226 _cell_angle_alpha 147.11963124 _cell_angle_beta 147.11963124 _cell_angle_gamma 47.18668124 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
139
139
# generated using pymatgen data_Ba(CuSe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07403600 _cell_length_b 4.07403600 _cell_length_c 13.19186200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,054
6,108
mp-1180
-0.353823
0
MnPt3
0
['Mn', 'Pt']
# generated using pymatgen data_MnPt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93608700 _cell_length_b 3.93608700 _cell_length_c 3.93608700 _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_MnPt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93608700 _cell_length_b 3.93608700 _cell_length_c 3.93608700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...
23,055
25,092
mp-1184171
-0.411243
0
ErAl3
0.007977
['Al', 'Er']
# generated using pymatgen data_ErAl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21813759 _cell_length_b 6.21813759 _cell_length_c 4.62804700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999565 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_ErAl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.21813759 _cell_length_b 6.21813759 _cell_length_c 4.62804700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,056
30,976
mp-979234
0.020476
0
Sm3Y
0.020476
['Sm', 'Y']
# generated using pymatgen data_Sm3Y _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.34524768 _cell_length_b 7.34524768 _cell_length_c 5.81886600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999715 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
194
194
# generated using pymatgen data_Sm3Y _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.34524768 _cell_length_b 7.34524768 _cell_length_c 5.81886600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
23,057
8,477
mp-978085
-0.320059
0
Pr2TlAg
0
['Pr', 'Tl', 'Ag']
# generated using pymatgen data_Pr2TlAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47846111 _cell_length_b 5.47846111 _cell_length_c 5.47846111 _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_Pr2TlAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.74771400 _cell_length_b 7.74771400 _cell_length_c 7.74771400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,058
29,103
mp-1184988
-0.184935
0.1104
Li2SmAl
0.017407
['Al', 'Li', 'Sm']
# generated using pymatgen data_Li2SmAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81176407 _cell_length_b 4.81176407 _cell_length_c 4.81176407 _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_Li2SmAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.80486201 _cell_length_b 6.80486201 _cell_length_c 6.80486201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,059
34,394
mp-675778
-4.120915
7.0374
NaY2F7
0.031428
['F', 'Na', 'Y']
# generated using pymatgen data_NaY2F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98732751 _cell_length_b 3.98732751 _cell_length_c 10.90999703 _cell_angle_alpha 79.94006084 _cell_angle_beta 79.94006084 _cell_angle_gamma 59.97067491 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_NaY2F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90727400 _cell_length_b 3.98556000 _cell_length_c 10.90999703 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.63471299 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,060
37,922
mp-756629
-3.025638
1.9875
Li5MnF8
0.044469
['F', 'Li', 'Mn']
# generated using pymatgen data_Li5MnF8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03749870 _cell_length_b 6.03749870 _cell_length_c 6.03749870 _cell_angle_alpha 123.49445988 _cell_angle_beta 122.19938782 _cell_angle_gamma 85.13986980 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
71
71
# generated using pymatgen data_Li5MnF8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71584800 _cell_length_b 5.83569000 _cell_length_c 8.89265799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,061
34,366
mp-542106
-0.443662
0
SbPd2
0.031184
['Sb', 'Pd']
# generated using pymatgen data_SbPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.04719894 _cell_length_b 9.04719894 _cell_length_c 7.03518500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 157.92938958 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
36
36
# generated using pymatgen data_SbPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46351800 _cell_length_b 17.75982201 _cell_length_c 7.03518500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,062
32,150
mp-1206573
-0.330358
0
K3Bi2
0.025612
['Bi', 'K']
# generated using pymatgen data_K3Bi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85963066 _cell_length_b 6.85963066 _cell_length_c 9.55412348 _cell_angle_alpha 78.88054745 _cell_angle_beta 78.88054745 _cell_angle_gamma 92.09468540 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...
15
15
# generated using pymatgen data_K3Bi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.52204200 _cell_length_b 9.87668200 _cell_length_c 9.55412348 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.13274431 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,063
25,144
mp-1188728
-0.831013
2.3874
CdI2
0.008096
['Cd', 'I']
# generated using pymatgen data_CdI2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33952844 _cell_length_b 4.33952844 _cell_length_c 44.19828759 _cell_angle_alpha 87.18612788 _cell_angle_beta 87.18612788 _cell_angle_gamma 59.99999325 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
160
160
# generated using pymatgen data_CdI2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33952822 _cell_length_b 4.33952822 _cell_length_c 132.38165699 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,064
41,392
mp-753428
-2.94106
0
TiVO3
0.059148
['O', 'Ti', 'V']
# generated using pymatgen data_TiVO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15066700 _cell_length_b 5.55205471 _cell_length_c 7.62171065 _cell_angle_alpha 83.97212827 _cell_angle_beta 89.78397071 _cell_angle_gamma 89.88745281 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
1
1
# generated using pymatgen data_TiVO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15066700 _cell_length_b 5.55205471 _cell_length_c 7.62171065 _cell_angle_alpha 83.97212827 _cell_angle_beta 89.78397071 _cell_angle_gamma 89.88745281 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
23,065
18,199
mp-1221898
-0.188877
0
Mn2GeRu
0
['Ge', 'Mn', 'Ru']
# generated using pymatgen data_Mn2GeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17329614 _cell_length_b 4.17329614 _cell_length_c 4.17329614 _cell_angle_alpha 90.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
216
216
# generated using pymatgen data_Mn2GeRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90193200 _cell_length_b 5.90193200 _cell_length_c 5.90193200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,066
20,879
mp-568400
-0.346502
0.1196
Sc(AlC)3
0.000408
['Al', 'C', 'Sc']
# generated using pymatgen data_Sc(AlC)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36426032 _cell_length_b 3.36426032 _cell_length_c 16.78558900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000639 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
186
186
# generated using pymatgen data_Sc(AlC)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36426032 _cell_length_b 3.36426032 _cell_length_c 16.78558900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,067
24,884
mp-569289
0.007564
0
Hg
0.007564
['Hg']
# generated using pymatgen data_Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43735490 _cell_length_b 3.43735490 _cell_length_c 3.43735490 _cell_angle_alpha 105.95644856 _cell_angle_beta 105.95644856 _cell_angle_gamma 116.75566872 _symmetry_Int_Tables_number 1 _chemical_formula_structural H...
139
139
# generated using pymatgen data_Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13939000 _cell_length_b 4.13939000 _cell_length_c 3.60451600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg _...
23,068
1,290
mp-20715
-0.73405
0
Pr2InGe2
0
['Ge', 'In', 'Pr']
# generated using pymatgen data_Pr2InGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.62124300 _cell_length_b 7.62124300 _cell_length_c 4.40453600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
127
127
# generated using pymatgen data_Pr2InGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.62124300 _cell_length_b 7.62124300 _cell_length_c 4.40453600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,069
1,571
mp-1104423
-1.248105
1.3643
Ba2YAg5S6
0
['Ag', 'Ba', 'S', 'Y']
# generated using pymatgen data_Ba2YAg5S6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23072100 _cell_length_b 7.34936399 _cell_length_c 11.26924557 _cell_angle_alpha 94.81523053 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.72803340 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
12
12
# generated using pymatgen data_Ba2YAg5S6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.07670400 _cell_length_b 4.23072100 _cell_length_c 11.26924557 _cell_angle_alpha 90.00000000 _cell_angle_beta 95.02854313 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,070
28,893
mp-619747
-2.018563
0.1734
Na3GdBr6
0.015583
['Br', 'Gd', 'Na']
# generated using pymatgen data_Na3GdBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.76356700 _cell_length_b 7.31541300 _cell_length_c 13.17470459 _cell_angle_alpha 56.52922515 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
14
14
# generated using pymatgen data_Na3GdBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.31541300 _cell_length_b 7.76356700 _cell_length_c 13.17470459 _cell_angle_alpha 90.00000000 _cell_angle_beta 123.47077485 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,071
28,101
mp-1185447
-0.635831
0
LiYbPd2
0.014826
['Li', 'Pd', 'Yb']
# generated using pymatgen data_LiYbPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61916515 _cell_length_b 4.61916515 _cell_length_c 4.61916515 _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_LiYbPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.53248600 _cell_length_b 6.53248600 _cell_length_c 6.53248600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,072
43,894
mp-755745
-2.189943
0.9905
LiBi(BO3)2
0.073279
['B', 'Bi', 'Li', 'O']
# generated using pymatgen data_LiBi(BO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98673800 _cell_length_b 4.62087800 _cell_length_c 9.08124517 _cell_angle_alpha 62.20671449 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
14
14
# generated using pymatgen data_LiBi(BO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62087800 _cell_length_b 5.98673800 _cell_length_c 9.08124517 _cell_angle_alpha 90.00000000 _cell_angle_beta 117.79328551 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,073
7,986
mp-9855
-1.524333
0.757
KHfCuS3
0
['Cu', 'Hf', 'K', 'S']
# generated using pymatgen data_KHfCuS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.39057371 _cell_length_b 7.39057371 _cell_length_c 9.76200900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 150.74880796 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_KHfCuS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73226400 _cell_length_b 14.30218600 _cell_length_c 9.76200900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,074
17,636
mp-1205754
-3.615066
2.2284
Na2CeF6
0
['Ce', 'F', 'Na']
# generated using pymatgen data_Na2CeF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03594910 _cell_length_b 6.03594910 _cell_length_c 3.78846500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999017 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
150
150
# generated using pymatgen data_Na2CeF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03594910 _cell_length_b 6.03594910 _cell_length_c 3.78846500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,075
15,714
mp-12515
-1.981535
0.007
LaZnSbO
0
['La', 'O', 'Sb', 'Zn']
# generated using pymatgen data_LaZnSbO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24629500 _cell_length_b 4.24629500 _cell_length_c 9.66609500 _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_LaZnSbO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24629500 _cell_length_b 4.24629500 _cell_length_c 9.66609500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,076
34,913
mp-755272
-2.365107
0.7822
Li3V5O8
0.03326
['Li', 'O', 'V']
# generated using pymatgen data_Li3V5O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07204913 _cell_length_b 6.07204913 _cell_length_c 6.07204930 _cell_angle_alpha 60.00776054 _cell_angle_beta 60.00776054 _cell_angle_gamma 60.00776736 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_Li3V5O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07276173 _cell_length_b 6.07276173 _cell_length_c 14.87254956 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,077
14,735
mp-14437
-3.022633
3.7009
RbYO2
0
['O', 'Rb', 'Y']
# generated using pymatgen data_RbYO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.87446876 _cell_length_b 6.87446876 _cell_length_c 6.87446858 _cell_angle_alpha 29.66695732 _cell_angle_beta 29.66695732 _cell_angle_gamma 29.66695461 _symmetry_Int_Tables_number 1 _chemical_formula_structural R...
166
166
# generated using pymatgen data_RbYO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51987414 _cell_length_b 3.51987414 _cell_length_c 19.70168359 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,078
39,978
mp-975109
0.051915
0
RbNa3
0.051915
['Na', 'Rb']
# generated using pymatgen data_RbNa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.33619866 _cell_length_b 8.33619866 _cell_length_c 6.55704900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000523 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_RbNa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.33619866 _cell_length_b 8.33619866 _cell_length_c 6.55704900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,079
8,704
mp-1224
-0.638053
1.2482
HgO
0
['Hg', 'O']
# generated using pymatgen data_HgO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73885200 _cell_length_b 5.79659500 _cell_length_c 6.73969100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgO...
62
62
# generated using pymatgen data_HgO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73885200 _cell_length_b 5.79659500 _cell_length_c 6.73969100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HgO...
23,080
43,623
mp-1183658
0.073085
0
Cd3Bi
0.073085
['Bi', 'Cd']
# generated using pymatgen data_Cd3Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67029234 _cell_length_b 5.67029234 _cell_length_c 5.67029234 _cell_angle_alpha 130.41304372 _cell_angle_beta 130.41304372 _cell_angle_gamma 72.74730438 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_Cd3Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75566000 _cell_length_b 4.75566000 _cell_length_c 9.13106000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
23,081
28,188
mp-1217340
-0.550064
0
ThUB8
0.014682
['B', 'Th', 'U']
# generated using pymatgen data_ThUB8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.14993523 _cell_length_b 7.14993523 _cell_length_c 4.03598100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.30965308 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
65
65
# generated using pymatgen data_ThUB8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.99531400 _cell_length_b 10.22643600 _cell_length_c 4.03598100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,082
2,086
mp-1105571
-0.173462
0
UReC2
0
['C', 'Re', 'U']
# generated using pymatgen data_UReC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19794100 _cell_length_b 5.59783900 _cell_length_c 11.00886800 _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_UReC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19794100 _cell_length_b 5.59783900 _cell_length_c 11.00886800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,083
21,787
mp-13819
-2.119452
0
KAgF3
0.001877
['Ag', 'F', 'K']
# generated using pymatgen data_KAgF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39788600 _cell_length_b 4.39788600 _cell_length_c 4.39788600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...
221
221
# generated using pymatgen data_KAgF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.39788600 _cell_length_b 4.39788600 _cell_length_c 4.39788600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...
23,084
17,505
mp-1019052
-0.134268
0
ReN
0
['Re', 'N']
# generated using pymatgen data_ReN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07338800 _cell_length_b 4.07338800 _cell_length_c 4.07338800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReN...
221
221
# generated using pymatgen data_ReN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07338800 _cell_length_b 4.07338800 _cell_length_c 4.07338800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ReN...
23,085
10,032
mp-1079332
-0.52055
0
HfCuSiAs
0
['As', 'Cu', 'Hf', 'Si']
# generated using pymatgen data_HfCuSiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65462900 _cell_length_b 3.65462900 _cell_length_c 9.57147300 _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_HfCuSiAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65462900 _cell_length_b 3.65462900 _cell_length_c 9.57147300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,086
32,525
mp-1078313
-0.220948
0
Bi2Pt
0.026381
['Bi', 'Pt']
# generated using pymatgen data_Bi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65109815 _cell_length_b 6.65109815 _cell_length_c 6.32121900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000146 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
157
157
# generated using pymatgen data_Bi2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65109815 _cell_length_b 6.65109815 _cell_length_c 6.32121900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,087
2,862
mp-567652
-2.488602
4.9616
Cs2LiYCl6
0
['Cs', 'Li', 'Y', 'Cl']
# generated using pymatgen data_Cs2LiYCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.51489045 _cell_length_b 7.51489045 _cell_length_c 7.51489045 _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_Cs2LiYCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.62765999 _cell_length_b 10.62765999 _cell_length_c 10.62765999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,088
28,609
mp-1185413
0.015699
0
LiPm2Co
0.015699
['Co', 'Li', 'Pm']
# generated using pymatgen data_LiPm2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97470127 _cell_length_b 4.97470127 _cell_length_c 4.97470127 _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_LiPm2Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03529000 _cell_length_b 7.03529000 _cell_length_c 7.03529000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,089
2,992
mp-988
-1.299595
4.2577
Si3N4
0
['Si', 'N']
# generated using pymatgen data_Si3N4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.66030772 _cell_length_b 7.66030772 _cell_length_c 2.92508500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999754 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
176
176
# generated using pymatgen data_Si3N4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.66030772 _cell_length_b 7.66030772 _cell_length_c 2.92508500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,090
28,693
mp-1217111
-0.405525
0
Ti5Al11
0.015818
['Al', 'Ti']
# generated using pymatgen data_Ti5Al11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92053800 _cell_length_b 3.92053800 _cell_length_c 16.46581100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
99
99
# generated using pymatgen data_Ti5Al11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92053800 _cell_length_b 3.92053800 _cell_length_c 16.46581100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,091
29,662
mp-1189790
-1.647268
0.9313
NdFe4(CuO4)3
0.018723
['Cu', 'Fe', 'Nd', 'O']
# generated using pymatgen data_NdFe4(CuO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48359791 _cell_length_b 6.48359791 _cell_length_c 6.48359791 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_stru...
204
204
# generated using pymatgen data_NdFe4(CuO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.48661400 _cell_length_b 7.48661400 _cell_length_c 7.48661400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,092
30,442
mp-864963
-0.600738
0
Dy2CuIr
0.018787
['Cu', 'Dy', 'Ir']
# generated using pymatgen data_Dy2CuIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85918830 _cell_length_b 4.85918830 _cell_length_c 4.85918830 _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_Dy2CuIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.87193000 _cell_length_b 6.87193000 _cell_length_c 6.87193000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,093
22,551
mp-1106232
-0.383127
0
PrAl
0.003349
['Al', 'Pr']
# generated using pymatgen data_PrAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03047900 _cell_length_b 11.84445600 _cell_length_c 5.81625500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
57
57
# generated using pymatgen data_PrAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81625500 _cell_length_b 6.03047900 _cell_length_c 11.84445600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
23,094
34,899
mp-753315
-2.704699
3.1534
Mg3ZnO4
0.03305
['Mg', 'Zn', 'O']
# generated using pymatgen data_Mg3ZnO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23724774 _cell_length_b 5.23724774 _cell_length_c 3.02807600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.49063137 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
65
65
# generated using pymatgen data_Mg3ZnO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04600400 _cell_length_b 8.55341401 _cell_length_c 3.02807600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,095
23,667
mp-1216495
-0.370024
0
V5Si6W5
0.005671
['Si', 'V', 'W']
# generated using pymatgen data_V5Si6W5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95932900 _cell_length_b 7.15123058 _cell_length_c 7.15900301 _cell_angle_alpha 96.63941618 _cell_angle_beta 110.26544920 _cell_angle_gamma 69.71155636 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
8
8
# generated using pymatgen data_V5Si6W5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.41512061 _cell_length_b 4.95932900 _cell_length_c 9.46757782 _cell_angle_alpha 90.00000000 _cell_angle_beta 134.81852312 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,096
43,778
mp-1522393
-3.632585
2.3501
BaSrCeHfO6
0.072775
['Ba', 'Ce', 'Hf', 'O', 'Sr']
# generated using pymatgen data_BaSrCeHfO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09922309 _cell_length_b 6.09922309 _cell_length_c 6.09922309 _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_BaSrCeHfO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.62560401 _cell_length_b 8.62560401 _cell_length_c 8.62560401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,097
17,792
mp-22713
-0.503861
0
Ce2Ni2Sn
0
['Ce', 'Ni', 'Sn']
# generated using pymatgen data_Ce2Ni2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44896766 _cell_length_b 5.44896766 _cell_length_c 5.44896766 _cell_angle_alpha 132.84302496 _cell_angle_beta 115.56056967 _cell_angle_gamma 83.60068187 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
71
71
# generated using pymatgen data_Ce2Ni2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35922800 _cell_length_b 5.81042400 _cell_length_c 8.12410600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,098
40,237
mp-1226008
-0.47763
0
CoAsSe
0.055667
['As', 'Co', 'Se']
# generated using pymatgen data_CoAsSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56141900 _cell_length_b 4.83412100 _cell_length_c 5.78817987 _cell_angle_alpha 88.73044007 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
10
10
# generated using pymatgen data_CoAsSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.83412100 _cell_length_b 3.56141900 _cell_length_c 5.78817987 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.26955993 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,099
3,003
mp-10069
-0.684143
0.1718
Ce(P3Ru)4
0
['Ce', 'P', 'Ru']
# generated using pymatgen data_Ce(P3Ru)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00693014 _cell_length_b 7.00693014 _cell_length_c 7.00693014 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
204
204
# generated using pymatgen data_Ce(P3Ru)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.09090601 _cell_length_b 8.09090601 _cell_length_c 8.09090601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...