Datasets:
bi0s
/
mol_ae_data

Dataset card Data Studio Files
xet
 Community
1
Unnamed: 0.1
int64
0
27.1k
Unnamed: 0
int64
1
45.2k
material_id
stringlengths
4
10
formation_energy_per_atom
float64
-5.15
0.08
band_gap
float64
0
17.9
pretty_formula
stringlengths
1
18
e_above_hull
float64
0
0.08
elements
stringlengths
5
40
cif
stringlengths
692
1.73k
spacegroup.number
int64
1
229
spacegroup.number.conv
int64
1
229
cif.conv
stringlengths
696
5.07k
24,700
24,788
mp-14193
-3.902009
6.3926
K2ThF6
0.007602
['F', 'K', 'Th']
# generated using pymatgen data_K2ThF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68069201 _cell_length_b 6.68069201 _cell_length_c 3.85777600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000011 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
189
189
# generated using pymatgen data_K2ThF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68069201 _cell_length_b 6.68069201 _cell_length_c 3.85777600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,701
39,403
mp-753486
-1.92127
3.3933
BaCaI4
0.051289
['Ba', 'Ca', 'I']
# generated using pymatgen data_BaCaI4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.25224227 _cell_length_b 9.25224227 _cell_length_c 9.25224227 _cell_angle_alpha 114.76066682 _cell_angle_beta 107.15518997 _cell_angle_gamma 106.63121039 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
74
74
# generated using pymatgen data_BaCaI4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.97502600 _cell_length_b 10.98673400 _cell_length_c 11.05470400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,702
28,172
mp-1215643
-0.636272
0.0515
ZnCu2Ge(SeS)2
0.014483
['Cu', 'Ge', 'S', 'Se', 'Zn']
# generated using pymatgen data_ZnCu2Ge(SeS)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48833569 _cell_length_b 5.48833569 _cell_length_c 6.69250656 _cell_angle_alpha 65.90363336 _cell_angle_beta 65.90363336 _cell_angle_gamma 90.24639456 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
42
42
# generated using pymatgen data_ZnCu2Ge(SeS)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.74497169 _cell_length_b 7.77834996 _cell_length_c 10.91668401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
24,703
4,705
mp-1228188
-0.278408
0
Ba4Tl13Hg3
0
['Ba', 'Hg', 'Tl']
# generated using pymatgen data_Ba4Tl13Hg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86471504 _cell_length_b 6.86471504 _cell_length_c 20.17954283 _cell_angle_alpha 80.18365452 _cell_angle_beta 80.18365452 _cell_angle_gamma 45.37322125 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
8
8
# generated using pymatgen data_Ba4Tl13Hg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.66716000 _cell_length_b 5.29531000 _cell_length_c 20.17954283 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.64877155 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
24,704
6,769
mp-18817
-1.189071
2.1076
NiSeO4
0
['Ni', 'Se', 'O']
# generated using pymatgen data_NiSeO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96098944 _cell_length_b 4.96098944 _cell_length_c 6.37780900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.00838057 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_NiSeO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47570200 _cell_length_b 8.27419800 _cell_length_c 6.37780900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,705
44,309
mp-20137
-0.792477
0
Dy(GePt)2
0.073882
['Dy', 'Ge', 'Pt']
# generated using pymatgen data_Dy(GePt)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82452776 _cell_length_b 5.82452776 _cell_length_c 5.82452776 _cell_angle_alpha 135.76758784 _cell_angle_beta 135.76758784 _cell_angle_gamma 64.33985339 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
139
139
# generated using pymatgen data_Dy(GePt)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38571000 _cell_length_b 4.38571000 _cell_length_c 9.86060800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
24,706
4,632
mp-1206278
-0.223817
0.1056
NdInCu4
0
['Cu', 'In', 'Nd']
# generated using pymatgen data_NdInCu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20028389 _cell_length_b 5.20028389 _cell_length_c 5.20028389 _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_NdInCu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.35431201 _cell_length_b 7.35431201 _cell_length_c 7.35431201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,707
17,514
mp-1025348
-0.418607
0
TlPPd5
0
['Tl', 'P', 'Pd']
# generated using pymatgen data_TlPPd5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00424700 _cell_length_b 4.00424700 _cell_length_c 7.11573700 _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_TlPPd5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00424700 _cell_length_b 4.00424700 _cell_length_c 7.11573700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,708
21,240
mp-1226873
-0.68293
0
Ce2B4(IrRh)3
0.001356
['B', 'Ce', 'Ir', 'Rh']
# generated using pymatgen data_Ce2B4(IrRh)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10181900 _cell_length_b 5.51779414 _cell_length_c 9.55129516 _cell_angle_alpha 89.98650980 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
10
10
# generated using pymatgen data_Ce2B4(IrRh)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51779414 _cell_length_b 3.10181900 _cell_length_c 9.55129516 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.01349020 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
24,709
36,651
mp-1187926
-0.307017
0
ZnAgPd2
0.039631
['Ag', 'Pd', 'Zn']
# generated using pymatgen data_ZnAgPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45894465 _cell_length_b 4.45894465 _cell_length_c 4.45894465 _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_ZnAgPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.30590000 _cell_length_b 6.30590000 _cell_length_c 6.30590000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,710
37,891
mp-753541
-2.168844
1.0159
LiCuF4
0.043541
['Li', 'Cu', 'F']
# generated using pymatgen data_LiCuF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.12958128 _cell_length_b 6.12958128 _cell_length_c 6.12958128 _cell_angle_alpha 129.45350444 _cell_angle_beta 129.45350444 _cell_angle_gamma 74.28195220 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
140
140
# generated using pymatgen data_LiCuF4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23387400 _cell_length_b 5.23387400 _cell_length_c 9.77242000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,711
43,890
mp-755595
-3.829447
3.0784
Er2TiO5
0.071129
['Er', 'O', 'Ti']
# generated using pymatgen data_Er2TiO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84201548 _cell_length_b 5.84201548 _cell_length_c 10.45128600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 139.20833528 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
63
63
# generated using pymatgen data_Er2TiO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07193000 _cell_length_b 10.95152800 _cell_length_c 10.45128600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
24,712
26,660
mp-1206302
-0.796856
0
LaGaSb2
0.011141
['Ga', 'La', 'Sb']
# generated using pymatgen data_LaGaSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.76895508 _cell_length_b 11.76895508 _cell_length_c 4.42525500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 158.38854394 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
20
20
# generated using pymatgen data_LaGaSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41287600 _cell_length_b 23.12054801 _cell_length_c 4.42525500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,713
21,834
mp-30336
-0.15255
0
Al4W
0.001787
['Al', 'W']
# generated using pymatgen data_Al4W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.30210057 _cell_length_b 9.30210057 _cell_length_c 5.24444256 _cell_angle_alpha 87.17445496 _cell_angle_beta 87.17445496 _cell_angle_gamma 147.02657255 _symmetry_Int_Tables_number 1 _chemical_formula_structural A...
8
8
# generated using pymatgen data_Al4W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27974200 _cell_length_b 17.83930000 _cell_length_c 5.24444256 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.00306301 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,714
3,541
mp-1080149
-1.21139
1.0845
Yb(CuS)2
0
['Cu', 'S', 'Yb']
# generated using pymatgen data_Yb(CuS)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88975419 _cell_length_b 3.88975419 _cell_length_c 6.42283600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000326 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
164
164
# generated using pymatgen data_Yb(CuS)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88975419 _cell_length_b 3.88975419 _cell_length_c 6.42283600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
24,715
29,680
mp-1210617
-1.870611
4.4363
MgTlCl3
0.018263
['Cl', 'Mg', 'Tl']
# generated using pymatgen data_MgTlCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07139200 _cell_length_b 7.16081700 _cell_length_c 10.10526500 _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_MgTlCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07139200 _cell_length_b 7.16081700 _cell_length_c 10.10526500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,716
6,165
mp-1209292
-0.328555
0
Sc6InCo2
0
['Co', 'In', 'Sc']
# generated using pymatgen data_Sc6InCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.81025657 _cell_length_b 7.81025657 _cell_length_c 7.81025657 _cell_angle_alpha 111.07908064 _cell_angle_beta 110.73206328 _cell_angle_gamma 106.63929693 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
71
71
# generated using pymatgen data_Sc6InCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.83867000 _cell_length_b 8.87763200 _cell_length_c 9.33091600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,717
32,205
mp-1218422
-3.43262
4.369
Sr5CaAl2(O4F)2
0.024998
['Al', 'Ca', 'F', 'O', 'Sr']
# generated using pymatgen data_Sr5CaAl2(O4F)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.77312776 _cell_length_b 6.77312776 _cell_length_c 7.39014551 _cell_angle_alpha 62.36203803 _cell_angle_beta 62.36203803 _cell_angle_gamma 89.29616662 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
42
42
# generated using pymatgen data_Sr5CaAl2(O4F)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.51963576 _cell_length_b 9.63730116 _cell_length_c 11.20622400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_stru...
24,718
43,505
mp-1023509
0.030404
0
Mg15Si
0.072409
['Mg', 'Si']
# generated using pymatgen data_Mg15Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31760439 _cell_length_b 6.31760439 _cell_length_c 10.23417600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000404 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
187
187
# generated using pymatgen data_Mg15Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31760439 _cell_length_b 6.31760439 _cell_length_c 10.23417600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,719
6,627
mp-1189210
-0.696068
0
Tm5Sn3
0
['Sn', 'Tm']
# generated using pymatgen data_Tm5Sn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46267800 _cell_length_b 8.83716665 _cell_length_c 8.83990088 _cell_angle_alpha 119.98976680 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
193
193
# generated using pymatgen data_Tm5Sn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.83853376 _cell_length_b 8.83853376 _cell_length_c 6.46267800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,720
12,280
mp-2726
-0.062683
0
SrCu5
0
['Sr', 'Cu']
# generated using pymatgen data_SrCu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28072252 _cell_length_b 5.28072252 _cell_length_c 3.99723200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000648 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_SrCu5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28072252 _cell_length_b 5.28072252 _cell_length_c 3.99723200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,721
5,851
mp-510557
-0.418123
4.261
CsN3
0
['Cs', 'N']
# generated using pymatgen data_CsN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25028808 _cell_length_b 6.25028808 _cell_length_c 6.25028808 _cell_angle_alpha 115.30323896 _cell_angle_beta 115.30323896 _cell_angle_gamma 98.34782191 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
140
140
# generated using pymatgen data_CsN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68863200 _cell_length_b 6.68863200 _cell_length_c 8.17244200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs...
24,722
33,422
mp-756131
-1.912805
3.6493
Sr2CaI6
0.027879
['Ca', 'I', 'Sr']
# generated using pymatgen data_Sr2CaI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.66206400 _cell_length_b 7.66206400 _cell_length_c 14.62393800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
136
136
# generated using pymatgen data_Sr2CaI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.66206400 _cell_length_b 7.66206400 _cell_length_c 14.62393800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,723
22,980
mp-975789
-0.087517
0
PrTmMg2
0.003703
['Mg', 'Pr', 'Tm']
# generated using pymatgen data_PrTmMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41701777 _cell_length_b 5.41701777 _cell_length_c 5.41701777 _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_PrTmMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.66082000 _cell_length_b 7.66082000 _cell_length_c 7.66082000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,724
24,307
mp-15206
-0.752205
0
Ho2Si5Ni3
0.006294
['Ho', 'Ni', 'Si']
# generated using pymatgen data_Ho2Si5Ni3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.84993717 _cell_length_b 7.84993717 _cell_length_c 7.84993717 _cell_angle_alpha 137.93990181 _cell_angle_beta 104.87580244 _cell_angle_gamma 90.04771584 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
72
72
# generated using pymatgen data_Ho2Si5Ni3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63401800 _cell_length_b 9.57097200 _cell_length_c 11.09686400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
24,725
35,187
mp-1216865
-1.259877
0
TiCrN2
0.034394
['Cr', 'N', 'Ti']
# generated using pymatgen data_TiCrN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00537070 _cell_length_b 3.00537070 _cell_length_c 5.03088348 _cell_angle_alpha 72.62092466 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_TiCrN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00537070 _cell_length_b 3.00537070 _cell_length_c 14.16655613 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,726
27,916
mp-7541
-0.005363
0
SnP3
0.013244
['Sn', 'P']
# generated using pymatgen data_SnP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60695610 _cell_length_b 5.60695610 _cell_length_c 5.60695501 _cell_angle_alpha 83.85152475 _cell_angle_beta 83.85152475 _cell_angle_gamma 83.85152679 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sn...
166
166
# generated using pymatgen data_SnP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.49276756 _cell_length_b 7.49276756 _cell_length_c 10.70125614 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,727
4,628
mp-1205921
-0.500057
0
CeSiOs2C
0
['C', 'Ce', 'Os', 'Si']
# generated using pymatgen data_CeSiOs2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92686982 _cell_length_b 5.92686982 _cell_length_c 7.13804400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 141.01219954 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
63
63
# generated using pymatgen data_CeSiOs2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95567000 _cell_length_b 11.17424800 _cell_length_c 7.13804400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
24,728
14,290
mp-21305
-0.310156
0
GdNi5
0
['Gd', 'Ni']
# generated using pymatgen data_GdNi5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88096416 _cell_length_b 4.88096416 _cell_length_c 3.94613600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000213 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_GdNi5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88096416 _cell_length_b 4.88096416 _cell_length_c 3.94613600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,729
25,842
mp-21500
-0.365234
0
Yb2InCu2
0.009264
['Cu', 'In', 'Yb']
# generated using pymatgen data_Yb2InCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.51486100 _cell_length_b 7.51486100 _cell_length_c 3.73790000 _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_Yb2InCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.51486100 _cell_length_b 7.51486100 _cell_length_c 3.73790000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,730
30,421
mp-756312
-1.706992
0
Li4MgNi3O8
0.019075
['Li', 'Mg', 'Ni', 'O']
# generated using pymatgen data_Li4MgNi3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82465440 _cell_length_b 5.82465440 _cell_length_c 5.82465379 _cell_angle_alpha 59.49600628 _cell_angle_beta 59.49600628 _cell_angle_gamma 59.49599731 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
166
166
# generated using pymatgen data_Li4MgNi3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78022624 _cell_length_b 5.78022624 _cell_length_c 14.32153342 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
24,731
13,677
mp-1219701
-0.091578
0
PuUC3
0
['C', 'Pu', 'U']
# generated using pymatgen data_PuUC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.99119272 _cell_length_b 6.99119272 _cell_length_c 6.99119272 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
199
199
# generated using pymatgen data_PuUC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.07273400 _cell_length_b 8.07273400 _cell_length_c 8.07273400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
24,732
38,714
mp-1222521
-0.953038
0
LuUTe6
0.049487
['Lu', 'Te', 'U']
# generated using pymatgen data_LuUTe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.91550742 _cell_length_b 12.91550742 _cell_length_c 4.35239800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 160.64246426 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
38
38
# generated using pymatgen data_LuUTe6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34281600 _cell_length_b 25.46333201 _cell_length_c 4.35239800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,733
39,642
mp-1187580
-0.313003
0
TmCo2Sn
0.051956
['Co', 'Sn', 'Tm']
# generated using pymatgen data_TmCo2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51132571 _cell_length_b 4.51132571 _cell_length_c 4.51132571 _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_TmCo2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.37997800 _cell_length_b 6.37997800 _cell_length_c 6.37997800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,734
12,970
mp-9122
-0.624377
0.0631
CaP3
0
['Ca', 'P']
# generated using pymatgen data_CaP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60947200 _cell_length_b 5.63901620 _cell_length_c 5.69460509 _cell_angle_alpha 70.07614778 _cell_angle_beta 79.62722193 _cell_angle_gamma 74.68433967 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca...
2
2
# generated using pymatgen data_CaP3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60947200 _cell_length_b 5.63901620 _cell_length_c 5.69460509 _cell_angle_alpha 70.07614778 _cell_angle_beta 79.62722193 _cell_angle_gamma 74.68433967 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca...
24,735
10,655
mp-1218686
-3.028484
0.9952
Sr2TiMnO6
0
['Mn', 'O', 'Sr', 'Ti']
# generated using pymatgen data_Sr2TiMnO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50591241 _cell_length_b 5.50591241 _cell_length_c 9.53652003 _cell_angle_alpha 73.22134512 _cell_angle_beta 73.22134512 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
225
225
# generated using pymatgen data_Sr2TiMnO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.78653600 _cell_length_b 7.78653600 _cell_length_c 7.78653600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
24,736
28,643
mp-1188017
-0.223832
0
ZrScTc2
0.015362
['Sc', 'Tc', 'Zr']
# generated using pymatgen data_ZrScTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62859230 _cell_length_b 4.62859230 _cell_length_c 4.62859230 _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_ZrScTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54581801 _cell_length_b 6.54581801 _cell_length_c 6.54581801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,737
37,474
mp-978507
0.042965
0
SmTh3
0.042965
['Sm', 'Th']
# generated using pymatgen data_SmTh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05395500 _cell_length_b 5.05395500 _cell_length_c 5.05395500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
221
221
# generated using pymatgen data_SmTh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05395500 _cell_length_b 5.05395500 _cell_length_c 5.05395500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
24,738
3,586
mp-1106137
-0.532078
0
Eu7Au3
0
['Au', 'Eu']
# generated using pymatgen data_Eu7Au3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.82958772 _cell_length_b 10.82958772 _cell_length_c 6.81095500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999830 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
186
186
# generated using pymatgen data_Eu7Au3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.82958772 _cell_length_b 10.82958772 _cell_length_c 6.81095500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
24,739
38,029
mp-1094194
-0.024731
0
MgZn5
0.047077
['Mg', 'Zn']
# generated using pymatgen data_MgZn5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70376695 _cell_length_b 5.70376695 _cell_length_c 5.70376667 _cell_angle_alpha 48.86611267 _cell_angle_beta 48.86611267 _cell_angle_gamma 48.86611653 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...
155
155
# generated using pymatgen data_MgZn5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71849577 _cell_length_b 4.71849577 _cell_length_c 15.03342950 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,740
22,901
mp-643013
-2.52991
4.1314
ZrP2(HO3)2
0.003428
['H', 'O', 'P', 'Zr']
# generated using pymatgen data_ZrP2(HO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51709575 _cell_length_b 5.51709575 _cell_length_c 5.62376600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999698 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
147
147
# generated using pymatgen data_ZrP2(HO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51709575 _cell_length_b 5.51709575 _cell_length_c 5.62376600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
24,741
24,593
mp-1186155
-0.279043
0
NaCeHg2
0.007801
['Ce', 'Hg', 'Na']
# generated using pymatgen data_NaCeHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35114512 _cell_length_b 5.35114512 _cell_length_c 5.35114512 _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_NaCeHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.56766200 _cell_length_b 7.56766200 _cell_length_c 7.56766200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,742
6,104
mp-1147553
-1.022994
0
KCuIO6
0
['Cu', 'I', 'K', 'O']
# generated using pymatgen data_KCuIO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15450141 _cell_length_b 5.15450141 _cell_length_c 6.19822100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999249 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
149
149
# generated using pymatgen data_KCuIO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15450141 _cell_length_b 5.15450141 _cell_length_c 6.19822100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,743
40,426
mp-756334
-2.237802
2.2079
K2Sr2O3
0.055332
['K', 'O', 'Sr']
# generated using pymatgen data_K2Sr2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.15990100 _cell_length_b 7.13227500 _cell_length_c 7.16104048 _cell_angle_alpha 61.26945532 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
14
14
# generated using pymatgen data_K2Sr2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.13227500 _cell_length_b 7.15990100 _cell_length_c 7.16104048 _cell_angle_alpha 90.00000000 _cell_angle_beta 118.73054468 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,744
43,273
mp-1519895
-3.316488
0
CaEuTiNbO6
0.070349
['Ca', 'Eu', 'Nb', 'O', 'Ti']
# generated using pymatgen data_CaEuTiNbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65348504 _cell_length_b 5.65348504 _cell_length_c 5.65348504 _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_CaEuTiNbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.99523522 _cell_length_b 7.99523522 _cell_length_c 7.99523522 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
24,745
31,853
mp-38327
-2.359802
2.3188
Ca(TbS2)2
0.022973
['Ca', 'S', 'Tb']
# generated using pymatgen data_Ca(TbS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.27587104 _cell_length_b 7.27587104 _cell_length_c 7.27587104 _cell_angle_alpha 109.52387352 _cell_angle_beta 109.52387352 _cell_angle_gamma 109.36596612 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
122
122
# generated using pymatgen data_Ca(TbS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.39599200 _cell_length_b 8.39599200 _cell_length_c 8.41236200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
24,746
35,490
mp-989403
-1.254316
0.7304
LaVN3
0.034312
['La', 'N', 'V']
# generated using pymatgen data_LaVN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62958300 _cell_length_b 6.02494145 _cell_length_c 6.32877564 _cell_angle_alpha 106.96251734 _cell_angle_beta 96.41196281 _cell_angle_gamma 90.83803040 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
1
1
# generated using pymatgen data_LaVN3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62958300 _cell_length_b 6.02494145 _cell_length_c 6.32877564 _cell_angle_alpha 106.96251734 _cell_angle_beta 96.41196281 _cell_angle_gamma 90.83803040 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,747
1,481
mp-871
-0.475988
0.1664
FeSi
0
['Fe', 'Si']
# generated using pymatgen data_FeSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44822100 _cell_length_b 4.44822100 _cell_length_c 4.44822100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe...
198
198
# generated using pymatgen data_FeSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44822100 _cell_length_b 4.44822100 _cell_length_c 4.44822100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Fe...
24,748
3,776
mp-20928
-0.381808
0.0892
Sb2Ru
0
['Sb', 'Ru']
# generated using pymatgen data_Sb2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22278400 _cell_length_b 6.02679500 _cell_length_c 6.74306500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
58
58
# generated using pymatgen data_Sb2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22278400 _cell_length_b 6.02679500 _cell_length_c 6.74306500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
24,749
1,734
mp-16645
-0.918532
0
SmMgPt
0
['Sm', 'Mg', 'Pt']
# generated using pymatgen data_SmMgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50064378 _cell_length_b 7.50064378 _cell_length_c 4.12723500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999810 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
189
189
# generated using pymatgen data_SmMgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50064378 _cell_length_b 7.50064378 _cell_length_c 4.12723500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,750
30,958
mp-972884
-0.342765
0
Sc2AlCu
0.021007
['Sc', 'Al', 'Cu']
# generated using pymatgen data_Sc2AlCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72390039 _cell_length_b 4.72390039 _cell_length_c 4.72390039 _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_Sc2AlCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68060400 _cell_length_b 6.68060400 _cell_length_c 6.68060400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,751
26,221
mp-1222764
-3.645022
3.4001
LaTaTiO6
0.009943
['La', 'O', 'Ta', 'Ti']
# generated using pymatgen data_LaTaTiO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.20205708 _cell_length_b 7.20205708 _cell_length_c 5.30810462 _cell_angle_alpha 70.68647880 _cell_angle_beta 70.68647880 _cell_angle_gamma 76.46908648 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
5
5
# generated using pymatgen data_LaTaTiO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.31420000 _cell_length_b 8.91444800 _cell_length_c 5.30810462 _cell_angle_alpha 90.00000000 _cell_angle_beta 114.90162858 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
24,752
41,606
mp-1174170
-1.995739
0.4399
Li4Mn3CoO8
0.062286
['Co', 'Li', 'Mn', 'O']
# generated using pymatgen data_Li4Mn3CoO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.07855300 _cell_length_b 5.09118400 _cell_length_c 9.94435403 _cell_angle_alpha 76.92840407 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
10
10
# generated using pymatgen data_Li4Mn3CoO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09118400 _cell_length_b 3.07855300 _cell_length_c 9.94435403 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.07159593 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
24,753
26,450
mp-867907
-0.318257
0
PuSi3
0.009928
['Pu', 'Si']
# generated using pymatgen data_PuSi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88443508 _cell_length_b 5.88443508 _cell_length_c 4.43025500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998965 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_PuSi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88443508 _cell_length_b 5.88443508 _cell_length_c 4.43025500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,754
31,654
mp-1211414
-2.076979
0
LaTiS3
0.023616
['La', 'S', 'Ti']
# generated using pymatgen data_LaTiS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77988500 _cell_length_b 8.05837900 _cell_length_c 13.24855600 _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_LaTiS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77988500 _cell_length_b 8.05837900 _cell_length_c 13.24855600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,755
20,582
mp-1173305
-4.049626
2.6627
ScPaO4
0.0004
['O', 'Pa', 'Sc']
# generated using pymatgen data_ScPaO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45181491 _cell_length_b 6.45181491 _cell_length_c 6.45181491 _cell_angle_alpha 132.04738618 _cell_angle_beta 132.04738618 _cell_angle_gamma 70.15419585 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
141
141
# generated using pymatgen data_ScPaO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24350400 _cell_length_b 5.24350400 _cell_length_c 10.56006601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,756
3,798
mp-23221
-2.309869
3.4296
PrBr3
0
['Pr', 'Br']
# generated using pymatgen data_PrBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.07021011 _cell_length_b 8.07021011 _cell_length_c 4.45335300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000090 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
176
176
# generated using pymatgen data_PrBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.07021011 _cell_length_b 8.07021011 _cell_length_c 4.45335300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,757
37,761
mp-1226452
-0.894505
0
Cr5NiS8
0.044002
['Cr', 'Ni', 'S']
# generated using pymatgen data_Cr5NiS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40990500 _cell_length_b 6.60498206 _cell_length_c 6.74819326 _cell_angle_alpha 105.60975433 _cell_angle_beta 105.39917214 _cell_angle_gamma 116.12688275 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
2
2
# generated using pymatgen data_Cr5NiS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40990500 _cell_length_b 6.60498206 _cell_length_c 6.74819326 _cell_angle_alpha 105.60975433 _cell_angle_beta 105.39917214 _cell_angle_gamma 116.12688275 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
24,758
12,831
mp-5519
-0.821522
0
HoGeAu
0
['Ho', 'Ge', 'Au']
# generated using pymatgen data_HoGeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47281129 _cell_length_b 4.47281129 _cell_length_c 7.29095300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998952 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
186
186
# generated using pymatgen data_HoGeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47281129 _cell_length_b 4.47281129 _cell_length_c 7.29095300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,759
1,545
mp-1087517
-0.695013
0
NdZnPd
0
['Nd', 'Pd', 'Zn']
# generated using pymatgen data_NdZnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.46492552 _cell_length_b 7.46492552 _cell_length_c 3.99151600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999575 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
189
189
# generated using pymatgen data_NdZnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.46492552 _cell_length_b 7.46492552 _cell_length_c 3.99151600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,760
6,521
mp-1072182
-0.695455
0
HoB2Ir3
0
['B', 'Ho', 'Ir']
# generated using pymatgen data_HoB2Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46842751 _cell_length_b 5.46842751 _cell_length_c 3.14618900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999406 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_HoB2Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46842751 _cell_length_b 5.46842751 _cell_length_c 3.14618900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,761
11,135
mp-1205782
-0.549496
0
Sm3(AgGe)4
0
['Ag', 'Ge', 'Sm']
# generated using pymatgen data_Sm3(AgGe)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42148600 _cell_length_b 7.19349500 _cell_length_c 8.47282422 _cell_angle_alpha 115.11927398 _cell_angle_beta 105.12474769 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
71
71
# generated using pymatgen data_Sm3(AgGe)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42148600 _cell_length_b 7.19349500 _cell_length_c 14.69214401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
24,762
3,364
mp-5504
-2.68362
4.3979
BaCO3
0
['Ba', 'C', 'O']
# generated using pymatgen data_BaCO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37774000 _cell_length_b 6.59571500 _cell_length_c 9.01356200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
62
62
# generated using pymatgen data_BaCO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37774000 _cell_length_b 6.59571500 _cell_length_c 9.01356200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
24,763
28,515
mp-10468
-0.867678
0
CeBPt2
0.01588
['B', 'Ce', 'Pt']
# generated using pymatgen data_CeBPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48452837 _cell_length_b 5.48452837 _cell_length_c 7.96061100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000443 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
180
180
# generated using pymatgen data_CeBPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48452837 _cell_length_b 5.48452837 _cell_length_c 7.96061100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,764
33,278
mp-1285961
-1.356537
1.0358
Li(CoO2)3
0.027257
['Co', 'Li', 'O']
# generated using pymatgen data_Li(CoO2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94912117 _cell_length_b 6.60288464 _cell_length_c 6.60352075 _cell_angle_alpha 79.67118318 _cell_angle_beta 83.28512609 _cell_angle_gamma 83.28414681 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
12
12
# generated using pymatgen data_Li(CoO2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.14101045 _cell_length_b 8.45984933 _cell_length_c 4.94912117 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.75933610 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
24,765
16,672
mp-1213213
-2.655196
4.7707
CsTm(WO4)2
0
['Cs', 'O', 'Tm', 'W']
# generated using pymatgen data_CsTm(WO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08727990 _cell_length_b 6.08727990 _cell_length_c 8.27232000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999887 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
164
164
# generated using pymatgen data_CsTm(WO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08727990 _cell_length_b 6.08727990 _cell_length_c 8.27232000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
24,766
2,488
mp-985829
-1.912356
1.2325
HfS2
0
['Hf', 'S']
# generated using pymatgen data_HfS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64336556 _cell_length_b 3.64336556 _cell_length_c 6.58445800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999196 _symmetry_Int_Tables_number 1 _chemical_formula_structural H...
164
164
# generated using pymatgen data_HfS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64336556 _cell_length_b 3.64336556 _cell_length_c 6.58445800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural H...
24,767
25,501
mp-10045
-1.009496
0
Ba5As3
0.00924
['As', 'Ba']
# generated using pymatgen data_Ba5As3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.56572761 _cell_length_b 9.56572761 _cell_length_c 7.80490700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999728 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
193
193
# generated using pymatgen data_Ba5As3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.56572761 _cell_length_b 9.56572761 _cell_length_c 7.80490700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,768
1,977
mp-9636
-2.925734
5.0381
CsSbF6
0
['Cs', 'Sb', 'F']
# generated using pymatgen data_CsSbF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45371486 _cell_length_b 5.45371486 _cell_length_c 5.45371538 _cell_angle_alpha 96.18771352 _cell_angle_beta 96.18771352 _cell_angle_gamma 96.18770071 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
148
148
# generated using pymatgen data_CsSbF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.11774460 _cell_length_b 8.11774460 _cell_length_c 8.36622539 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,769
25,219
mp-1220735
-2.619154
4.3091
NaLa(WO4)2
0.008415
['La', 'Na', 'O', 'W']
# generated using pymatgen data_NaLa(WO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01632207 _cell_length_b 7.01632207 _cell_length_c 7.01632207 _cell_angle_alpha 134.43369748 _cell_angle_beta 134.43369748 _cell_angle_gamma 66.41139068 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
82
82
# generated using pymatgen data_NaLa(WO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43406400 _cell_length_b 5.43406400 _cell_length_c 11.74125200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
24,770
45,115
mp-1272899
-2.021447
0.2927
Li2Cr2CoO6
0.079102
['Co', 'Cr', 'Li', 'O']
# generated using pymatgen data_Li2Cr2CoO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.80765962 _cell_length_b 2.93881681 _cell_length_c 5.89424476 _cell_angle_alpha 91.98012906 _cell_angle_beta 103.58740649 _cell_angle_gamma 102.09851519 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
2
2
# generated using pymatgen data_Li2Cr2CoO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93881681 _cell_length_b 5.89424476 _cell_length_c 6.80765962 _cell_angle_alpha 103.58740649 _cell_angle_beta 102.09851519 _cell_angle_gamma 91.98012906 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
24,771
63
mp-8291
-3.976584
4.3416
BaTiF6
0
['Ba', 'Ti', 'F']
# generated using pymatgen data_BaTiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99362902 _cell_length_b 4.99362902 _cell_length_c 4.99362893 _cell_angle_alpha 97.96154741 _cell_angle_beta 97.96154741 _cell_angle_gamma 97.96154348 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_BaTiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.53528007 _cell_length_b 7.53528007 _cell_length_c 7.35429371 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,772
25,386
mp-571414
-0.466711
6.187
KNa(BH4)2
0.008774
['B', 'H', 'K', 'Na']
# generated using pymatgen data_KNa(BH4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70349015 _cell_length_b 4.70349015 _cell_length_c 7.29443100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000211 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
156
156
# generated using pymatgen data_KNa(BH4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70349015 _cell_length_b 4.70349015 _cell_length_c 7.29443100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
24,773
36,834
mp-26477
-2.194828
0.1438
LiCuPO4
0.040944
['Cu', 'Li', 'O', 'P']
# generated using pymatgen data_LiCuPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90236521 _cell_length_b 4.90236521 _cell_length_c 4.90236521 _cell_angle_alpha 119.01645042 _cell_angle_beta 119.01645042 _cell_angle_gamma 91.71217069 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
82
82
# generated using pymatgen data_LiCuPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97506400 _cell_length_b 4.97506400 _cell_length_c 6.82863200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,774
6,212
mp-13431
-0.393594
0
Dy2AlCo2
0
['Dy', 'Al', 'Co']
# generated using pymatgen data_Dy2AlCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39228866 _cell_length_b 5.39228866 _cell_length_c 5.39228866 _cell_angle_alpha 136.25202800 _cell_angle_beta 119.04765344 _cell_angle_gamma 77.99920167 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
71
71
# generated using pymatgen data_Dy2AlCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01797200 _cell_length_b 5.46972200 _cell_length_c 8.38123799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,775
8,588
mp-1104774
-0.967612
0
Er3Pd4
0
['Er', 'Pd']
# generated using pymatgen data_Er3Pd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.83688756 _cell_length_b 7.83688756 _cell_length_c 7.83688741 _cell_angle_alpha 114.29910363 _cell_angle_beta 114.29910363 _cell_angle_gamma 114.29911805 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
148
148
# generated using pymatgen data_Er3Pd4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.16737141 _cell_length_b 13.16737141 _cell_length_c 5.71071439 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
24,776
43,830
mp-685155
-2.132631
0
ZrCl3
0.071068
['Cl', 'Zr']
# generated using pymatgen data_ZrCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.47069847 _cell_length_b 7.47069847 _cell_length_c 7.47069912 _cell_angle_alpha 49.56550297 _cell_angle_beta 49.56550297 _cell_angle_gamma 49.56549800 _symmetry_Int_Tables_number 1 _chemical_formula_structural Z...
148
148
# generated using pymatgen data_ZrCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26311643 _cell_length_b 6.26311643 _cell_length_c 19.61178631 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,777
10,163
mp-1216092
-0.561428
0
YMn2SiGe
0
['Ge', 'Mn', 'Si', 'Y']
# generated using pymatgen data_YMn2SiGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99960712 _cell_length_b 5.99960712 _cell_length_c 5.99960712 _cell_angle_alpha 141.99594008 _cell_angle_beta 141.99594008 _cell_angle_gamma 54.83491522 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
107
107
# generated using pymatgen data_YMn2SiGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90696400 _cell_length_b 3.90696400 _cell_length_c 10.65140399 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
24,778
33,620
mp-1186484
-0.041094
0
Pm2Mg
0.029019
['Mg', 'Pm']
# generated using pymatgen data_Pm2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.04348625 _cell_length_b 7.04348625 _cell_length_c 7.56166769 _cell_angle_alpha 74.60666468 _cell_angle_beta 74.60666468 _cell_angle_gamma 30.90615990 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
12
12
# generated using pymatgen data_Pm2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.57771399 _cell_length_b 3.75346200 _cell_length_c 7.56166769 _cell_angle_alpha 90.00000000 _cell_angle_beta 105.98585074 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,779
32,503
mp-1008874
-0.227591
0
MnCoTe
0.026074
['Mn', 'Co', 'Te']
# generated using pymatgen data_MnCoTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14647416 _cell_length_b 4.14647416 _cell_length_c 4.14647416 _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_MnCoTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86399999 _cell_length_b 5.86399999 _cell_length_c 5.86399999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,780
21,885
mp-5869
-2.528132
0
Ca2CuO3
0.002196
['Ca', 'Cu', 'O']
# generated using pymatgen data_Ca2CuO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59456324 _cell_length_b 6.59456324 _cell_length_c 6.59456324 _cell_angle_alpha 151.11201547 _cell_angle_beta 146.21708909 _cell_angle_gamma 45.03163863 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
71
71
# generated using pymatgen data_Ca2CuO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28981000 _cell_length_b 3.83222600 _cell_length_c 12.18377000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,781
11,385
mp-568424
-0.693878
0
CaAlAu
0
['Ca', 'Al', 'Au']
# generated using pymatgen data_CaAlAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55689300 _cell_length_b 7.33507000 _cell_length_c 7.80542300 _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_CaAlAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55689300 _cell_length_b 7.33507000 _cell_length_c 7.80542300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,782
11,185
mp-1219215
-3.03323
1.3222
Sm2VFeO6
0
['Fe', 'O', 'Sm', 'V']
# generated using pymatgen data_Sm2VFeO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68134600 _cell_length_b 5.43488000 _cell_length_c 9.53251431 _cell_angle_alpha 55.22557290 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
14
14
# generated using pymatgen data_Sm2VFeO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43488000 _cell_length_b 5.68134600 _cell_length_c 9.53251431 _cell_angle_alpha 90.00000000 _cell_angle_beta 124.77442710 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
24,783
40,483
mp-989511
-1.436207
0.0665
Cs2AsBrCl6
0.056213
['As', 'Br', 'Cl', 'Cs']
# generated using pymatgen data_Cs2AsBrCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.80062240 _cell_length_b 7.80062240 _cell_length_c 7.80062240 _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_Cs2AsBrCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.03174599 _cell_length_b 11.03174599 _cell_length_c 11.03174599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
24,784
38,268
mp-1245829
-0.453876
0
Mg(Mn5N4)2
0.047061
['Mg', 'Mn', 'N']
# generated using pymatgen data_Mg(Mn5N4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.57248752 _cell_length_b 4.07354353 _cell_length_c 6.63412455 _cell_angle_alpha 90.00000661 _cell_angle_beta 73.20157463 _cell_angle_gamma 74.39701971 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
12
12
# generated using pymatgen data_Mg(Mn5N4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.58686116 _cell_length_b 4.07354353 _cell_length_c 6.63412455 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.46140372 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
24,785
18,053
mp-1102205
-0.258686
0
TmFe4B
0
['B', 'Fe', 'Tm']
# generated using pymatgen data_TmFe4B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03323939 _cell_length_b 5.03076591 _cell_length_c 7.02387500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.01626182 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_TmFe4B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03200265 _cell_length_b 5.03200265 _cell_length_c 7.02387500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,786
13,027
mp-1077929
-3.042022
0
La2CuO4
0
['Cu', 'La', 'O']
# generated using pymatgen data_La2CuO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.92423226 _cell_length_b 6.92423226 _cell_length_c 6.92423226 _cell_angle_alpha 146.34826103 _cell_angle_beta 146.34826103 _cell_angle_gamma 48.32976716 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
139
139
# generated using pymatgen data_La2CuO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00863200 _cell_length_b 4.00863200 _cell_length_c 12.63493999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,787
34,785
mp-1298313
-2.07685
1.7028
Li2CrO2
0.032387
['Cr', 'Li', 'O']
# generated using pymatgen data_Li2CrO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98615500 _cell_length_b 7.51140545 _cell_length_c 10.41125793 _cell_angle_alpha 110.30085506 _cell_angle_beta 89.99720433 _cell_angle_gamma 101.47002588 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
12
12
# generated using pymatgen data_Li2CrO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.41125793 _cell_length_b 2.98615500 _cell_length_c 7.35913654 _cell_angle_alpha 90.00000000 _cell_angle_beta 110.68629022 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
24,788
18,556
mp-1097041
-0.982199
0
IrO3
0
['Ir', 'O']
# generated using pymatgen data_IrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10174567 _cell_length_b 5.10174567 _cell_length_c 7.34132100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.27688402 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ir...
63
63
# generated using pymatgen data_IrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.13411600 _cell_length_b 7.29490400 _cell_length_c 7.34132100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ir...
24,789
1,072
mp-1104396
-0.558573
0
La5Ir2
0
['Ir', 'La']
# generated using pymatgen data_La5Ir2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.18235801 _cell_length_b 9.18235801 _cell_length_c 7.41594157 _cell_angle_alpha 84.00703536 _cell_angle_beta 84.00703536 _cell_angle_gamma 43.32801547 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
15
15
# generated using pymatgen data_La5Ir2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 17.06751801 _cell_length_b 6.77957400 _cell_length_c 7.41594157 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.45031823 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,790
28,198
mp-1218380
-0.317778
0
SrCa3Ag4
0.014781
['Ag', 'Ca', 'Sr']
# generated using pymatgen data_SrCa3Ag4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13115500 _cell_length_b 4.82290300 _cell_length_c 11.49853500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25
25
# generated using pymatgen data_SrCa3Ag4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13115500 _cell_length_b 4.82290300 _cell_length_c 11.49853500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
24,791
25,447
mp-866194
-0.174372
0
Li2MgCd
0.008173
['Li', 'Mg', 'Cd']
# generated using pymatgen data_Li2MgCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74380686 _cell_length_b 4.74380686 _cell_length_c 4.74380686 _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_Li2MgCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.70875600 _cell_length_b 6.70875600 _cell_length_c 6.70875600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,792
223
mp-1209531
-1.354422
2.8477
Rb2CdI4
0
['Cd', 'I', 'Rb']
# generated using pymatgen data_Rb2CdI4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.42428218 _cell_length_b 8.58474600 _cell_length_c 10.30557359 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.15888377 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
11
11
# generated using pymatgen data_Rb2CdI4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.42428218 _cell_length_b 8.58474600 _cell_length_c 10.30557359 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.15888377 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
24,793
20,937
mp-764074
-1.637299
1.8659
Na2FeO3
0.000671
['Fe', 'Na', 'O']
# generated using pymatgen data_Na2FeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82979657 _cell_length_b 5.82979657 _cell_length_c 5.29248100 _cell_angle_alpha 82.25628193 _cell_angle_beta 82.25628193 _cell_angle_gamma 122.11634790 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
9
9
# generated using pymatgen data_Na2FeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64232600 _cell_length_b 10.20344400 _cell_length_c 5.29248100 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.16702630 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
24,794
26,817
mp-17325
-0.620261
0
Ba5Sn3
0.011262
['Ba', 'Sn']
# generated using pymatgen data_Ba5Sn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.80752702 _cell_length_b 10.80752702 _cell_length_c 10.80752702 _cell_angle_alpha 130.50780402 _cell_angle_beta 130.50780402 _cell_angle_gamma 72.59625111 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
140
140
# generated using pymatgen data_Ba5Sn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.04801600 _cell_length_b 9.04801600 _cell_length_c 17.42060200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,795
9,113
mp-1186767
-0.24474
0
Ta2NbRe
0
['Nb', 'Re', 'Ta']
# generated using pymatgen data_Ta2NbRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59922757 _cell_length_b 4.59922757 _cell_length_c 4.59922757 _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_Ta2NbRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.50429001 _cell_length_b 6.50429001 _cell_length_c 6.50429001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,796
24,387
mp-557373
-0.742892
1.6795
Cu2WS4
0.006088
['Cu', 'W', 'S']
# generated using pymatgen data_Cu2WS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56233402 _cell_length_b 6.56233402 _cell_length_c 6.56233402 _cell_angle_alpha 130.86267016 _cell_angle_beta 130.86267016 _cell_angle_gamma 72.03135831 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
121
121
# generated using pymatgen data_Cu2WS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45702000 _cell_length_b 5.45702000 _cell_length_c 10.61596800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,797
8,599
mp-1105827
-0.846519
0.3681
Pr3Cu3Sb4
0
['Cu', 'Pr', 'Sb']
# generated using pymatgen data_Pr3Cu3Sb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.49587895 _cell_length_b 8.49587895 _cell_length_c 8.49587895 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
220
220
# generated using pymatgen data_Pr3Cu3Sb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.81019600 _cell_length_b 9.81019600 _cell_length_c 9.81019600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
24,798
35,647
mp-1189715
-0.823784
0
Er5Ir3
0.035936
['Er', 'Ir']
# generated using pymatgen data_Er5Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15535800 _cell_length_b 8.27468935 _cell_length_c 8.27356296 _cell_angle_alpha 120.00450317 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
193
193
# generated using pymatgen data_Er5Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.27356299 _cell_length_b 8.27356299 _cell_length_c 6.15535800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
24,799
41,257
mp-1226906
-0.238928
0
Ce2Fe3Rh
0.058824
['Ce', 'Fe', 'Rh']
# generated using pymatgen data_Ce2Fe3Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27964063 _cell_length_b 5.27964063 _cell_length_c 5.27964066 _cell_angle_alpha 56.32332067 _cell_angle_beta 56.32332067 _cell_angle_gamma 56.32331792 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_Ce2Fe3Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98356812 _cell_length_b 4.98356812 _cell_length_c 13.28019551 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...