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
25,100
40,521
mp-1039055
-0.026114
0
Mg3Cd
0.056642
['Mg', 'Cd']
# generated using pymatgen data_Mg3Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23542814 _cell_length_b 3.23542814 _cell_length_c 9.89072900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000283 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
187
187
# generated using pymatgen data_Mg3Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23542814 _cell_length_b 3.23542814 _cell_length_c 9.89072900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,101
38,364
mp-569601
-1.011986
0
ErSi2Rh3
0.047372
['Er', 'Si', 'Rh']
# generated using pymatgen data_ErSi2Rh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50892612 _cell_length_b 5.50892612 _cell_length_c 3.68461800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000142 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
191
191
# generated using pymatgen data_ErSi2Rh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50892612 _cell_length_b 5.50892612 _cell_length_c 3.68461800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,102
14,842
mp-4359
-2.395242
0.2764
Sr2PdO3
0
['Sr', 'Pd', 'O']
# generated using pymatgen data_Sr2PdO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.99773746 _cell_length_b 6.99773746 _cell_length_c 6.99773746 _cell_angle_alpha 150.35090148 _cell_angle_beta 146.36398472 _cell_angle_gamma 45.44090346 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
71
71
# generated using pymatgen data_Sr2PdO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58088200 _cell_length_b 4.04934800 _cell_length_c 12.90943001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,103
24,647
mp-1207114
-2.960007
1.7028
K2TaNbO6
0.00696
['K', 'Nb', 'O', 'Ta']
# generated using pymatgen data_K2TaNbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71968493 _cell_length_b 5.71968493 _cell_length_c 5.71968493 _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_K2TaNbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.08885600 _cell_length_b 8.08885600 _cell_length_c 8.08885600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,104
20,623
mp-1189763
-0.281669
0
Dy3Tl5
0.000775
['Dy', 'Tl']
# generated using pymatgen data_Dy3Tl5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.52464027 _cell_length_b 6.52464027 _cell_length_c 10.57268600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 104.46991107 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_Dy3Tl5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.99170400 _cell_length_b 10.31583200 _cell_length_c 10.57268600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,105
36,743
mp-1224142
-0.667155
0.7792
Ho(CuTe)3
0.040992
['Cu', 'Ho', 'Te']
# generated using pymatgen data_Ho(CuTe)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.21804313 _cell_length_b 8.21804313 _cell_length_c 8.21804307 _cell_angle_alpha 53.74093858 _cell_angle_beta 53.74093858 _cell_angle_gamma 53.74093669 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
148
148
# generated using pymatgen data_Ho(CuTe)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.42870011 _cell_length_b 7.42870011 _cell_length_c 21.03020056 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,106
21,253
mp-1228500
-0.385221
0
Al4Ni15Sb
0.001437
['Al', 'Ni', 'Sb']
# generated using pymatgen data_Al4Ni15Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59980900 _cell_length_b 3.59980900 _cell_length_c 17.86257600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
123
123
# generated using pymatgen data_Al4Ni15Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59980900 _cell_length_b 3.59980900 _cell_length_c 17.86257600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,107
276
mp-1025185
-2.538339
5.1131
Cs2CaCl4
0
['Cs', 'Ca', 'Cl']
# generated using pymatgen data_Cs2CaCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.55990675 _cell_length_b 9.55990675 _cell_length_c 9.55990675 _cell_angle_alpha 146.96966030 _cell_angle_beta 146.96966030 _cell_angle_gamma 47.40870719 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
139
139
# generated using pymatgen data_Cs2CaCl4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43517400 _cell_length_b 5.43517400 _cell_length_c 17.50671401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,108
4,044
mp-1079826
-1.087106
0
ErSnPt
0
['Er', 'Pt', 'Sn']
# generated using pymatgen data_ErSnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50701191 _cell_length_b 7.50701191 _cell_length_c 3.98754300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999925 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
189
189
# generated using pymatgen data_ErSnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50701191 _cell_length_b 7.50701191 _cell_length_c 3.98754300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,109
31,401
mp-676338
-2.27746
1.2957
MgIn2O4
0.021404
['In', 'Mg', 'O']
# generated using pymatgen data_MgIn2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36086867 _cell_length_b 6.36086867 _cell_length_c 6.36086867 _cell_angle_alpha 120.34036955 _cell_angle_beta 119.20077942 _cell_angle_gamma 90.40065174 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
74
74
# generated using pymatgen data_MgIn2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32811600 _cell_length_b 6.43755400 _cell_length_c 8.96412000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,110
44,794
mp-1277045
-1.927919
1.1514
VCoO3
0.078466
['Co', 'O', 'V']
# generated using pymatgen data_VCoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06005649 _cell_length_b 5.52611077 _cell_length_c 4.98940519 _cell_angle_alpha 63.35074915 _cell_angle_beta 118.81426230 _cell_angle_gamma 118.43172080 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
1
1
# generated using pymatgen data_VCoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98940519 _cell_length_b 5.06005649 _cell_length_c 5.52611077 _cell_angle_alpha 61.56827920 _cell_angle_beta 63.35074915 _cell_angle_gamma 61.18573770 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
25,111
8,211
mp-15223
-1.221785
1.6428
Cs2NbCuSe4
0
['Cs', 'Cu', 'Nb', 'Se']
# generated using pymatgen data_Cs2NbCuSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.03250619 _cell_length_b 13.35981600 _cell_length_c 8.02981431 _cell_angle_alpha 85.45910256 _cell_angle_beta 62.36727308 _cell_angle_gamma 32.17362436 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
70
70
# generated using pymatgen data_Cs2NbCuSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82861200 _cell_length_b 14.96458999 _cell_length_c 26.07615800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,112
21,824
mp-2550
-1.537225
0
NdTe2
0.002409
['Nd', 'Te']
# generated using pymatgen data_NdTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50833100 _cell_length_b 4.50833100 _cell_length_c 9.18937900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
129
129
# generated using pymatgen data_NdTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50833100 _cell_length_b 4.50833100 _cell_length_c 9.18937900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
25,113
19,247
mp-19793
-2.419116
0.5177
YbFeO3
0
['Fe', 'O', 'Yb']
# generated using pymatgen data_YbFeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28953600 _cell_length_b 5.40804100 _cell_length_c 7.53636400 _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_YbFeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28953600 _cell_length_b 5.40804100 _cell_length_c 7.53636400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,114
34,649
mp-1187264
-0.628028
0
Tb2NiIr
0.032733
['Ir', 'Ni', 'Tb']
# generated using pymatgen data_Tb2NiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84301394 _cell_length_b 4.84301394 _cell_length_c 4.84301394 _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_Tb2NiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84905600 _cell_length_b 6.84905600 _cell_length_c 6.84905600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,115
26,942
mp-780737
-2.739475
0.734
SrTaNO2
0.01071
['N', 'O', 'Sr', 'Ta']
# generated using pymatgen data_SrTaNO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73112100 _cell_length_b 5.74288568 _cell_length_c 8.18980999 _cell_angle_alpha 90.05389724 _cell_angle_beta 90.01695827 _cell_angle_gamma 90.09372236 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
1
1
# generated using pymatgen data_SrTaNO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73112100 _cell_length_b 5.74288568 _cell_length_c 8.18980999 _cell_angle_alpha 90.05389724 _cell_angle_beta 90.01695827 _cell_angle_gamma 90.09372236 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,116
15,637
mp-1205594
-3.486863
3.577
Sr2TaAlO6
0
['Al', 'O', 'Sr', 'Ta']
# generated using pymatgen data_Sr2TaAlO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55997072 _cell_length_b 5.55997072 _cell_length_c 5.55997072 _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_Sr2TaAlO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.86298600 _cell_length_b 7.86298600 _cell_length_c 7.86298600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,117
29,162
mp-1208265
-1.228798
0
Ti2CrSe4
0.017425
['Cr', 'Se', 'Ti']
# generated using pymatgen data_Ti2CrSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.99979427 _cell_length_b 6.99979427 _cell_length_c 6.31812086 _cell_angle_alpha 64.34352170 _cell_angle_beta 64.34352170 _cell_angle_gamma 29.53891613 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_Ti2CrSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.53703399 _cell_length_b 3.56892000 _cell_length_c 6.31812086 _cell_angle_alpha 90.00000000 _cell_angle_beta 116.60063862 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,118
35,112
mp-1183815
-0.230673
0
DyAg3
0.0358
['Ag', 'Dy']
# generated using pymatgen data_DyAg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26548527 _cell_length_b 5.26548527 _cell_length_c 5.26548527 _cell_angle_alpha 130.34422523 _cell_angle_beta 130.34422523 _cell_angle_gamma 72.85706073 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_DyAg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42189000 _cell_length_b 4.42189000 _cell_length_c 8.47320000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural D...
25,119
13,502
mp-1014251
-1.171242
2.2797
HfZnN2
0
['Hf', 'Zn', 'N']
# generated using pymatgen data_HfZnN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26518375 _cell_length_b 3.26518375 _cell_length_c 5.32148800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999488 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
156
156
# generated using pymatgen data_HfZnN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26518375 _cell_length_b 3.26518375 _cell_length_c 5.32148800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,120
12,336
mp-4638
-0.468271
0
TlCrTe2
0
['Cr', 'Te', 'Tl']
# generated using pymatgen data_TlCrTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12138466 _cell_length_b 4.12138466 _cell_length_c 7.96005300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001053 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_TlCrTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12138466 _cell_length_b 4.12138466 _cell_length_c 7.96005300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,121
19,828
mp-510575
-2.981953
0.4045
GdMnO3
0
['Gd', 'Mn', 'O']
# generated using pymatgen data_GdMnO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36147800 _cell_length_b 5.85596500 _cell_length_c 7.57169400 _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_GdMnO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36147800 _cell_length_b 5.85596500 _cell_length_c 7.57169400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,122
29,635
mp-1186510
-0.467443
0
PrSmIn2
0.0185
['In', 'Pr', 'Sm']
# generated using pymatgen data_PrSmIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57176243 _cell_length_b 5.57176243 _cell_length_c 5.57176243 _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_PrSmIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.87966199 _cell_length_b 7.87966199 _cell_length_c 7.87966199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,123
9,864
mp-557158
-2.91022
0
CrMoF6
0
['Cr', 'F', 'Mo']
# generated using pymatgen data_CrMoF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58217820 _cell_length_b 5.58217820 _cell_length_c 5.58217832 _cell_angle_alpha 56.05789464 _cell_angle_beta 56.05789464 _cell_angle_gamma 56.05790087 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
148
148
# generated using pymatgen data_CrMoF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24632776 _cell_length_b 5.24632776 _cell_length_c 14.06678935 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,124
42,774
mp-12770
-0.496952
0
DySi2
0.066693
['Dy', 'Si']
# generated using pymatgen data_DySi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.78539163 _cell_length_b 7.78539163 _cell_length_c 7.78539163 _cell_angle_alpha 150.27154120 _cell_angle_beta 150.27154120 _cell_angle_gamma 42.54295579 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
141
141
# generated using pymatgen data_DySi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99436400 _cell_length_b 3.99436400 _cell_length_c 14.50997601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,125
41,620
mp-1183303
-3.13376
0
BaF3
0.061208
['Ba', 'F']
# generated using pymatgen data_BaF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68725211 _cell_length_b 4.68725211 _cell_length_c 4.68725211 _cell_angle_alpha 126.33002831 _cell_angle_beta 126.33002831 _cell_angle_gamma 79.34639097 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_BaF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23186200 _cell_length_b 4.23186200 _cell_length_c 7.21554000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba...
25,126
26,810
mp-1519524
-2.909425
0.4137
KTbEuWO6
0.011406
['Eu', 'K', 'O', 'Tb', 'W']
# generated using pymatgen data_KTbEuWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94707385 _cell_length_b 5.94707385 _cell_length_c 5.94707385 _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_KTbEuWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.41043250 _cell_length_b 8.41043250 _cell_length_c 8.41043250 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,127
27,791
mp-13981
-2.677706
5.1832
KPO3
0.01259
['K', 'O', 'P']
# generated using pymatgen data_KPO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50450700 _cell_length_b 5.93715300 _cell_length_c 12.80704400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...
62
62
# generated using pymatgen data_KPO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50450700 _cell_length_b 5.93715300 _cell_length_c 12.80704400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K...
25,128
36,294
mp-1521024
-2.966022
0.5858
BaCaEuWO6
0.039064
['Ba', 'Ca', 'Eu', 'O', 'W']
# generated using pymatgen data_BaCaEuWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96967480 _cell_length_b 5.96967480 _cell_length_c 5.96967480 _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_BaCaEuWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.44239507 _cell_length_b 8.44239507 _cell_length_c 8.44239507 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,129
3,889
mp-6450
-0.640902
1.9856
K2LiAlP2
0
['Al', 'K', 'Li', 'P']
# generated using pymatgen data_K2LiAlP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.62913872 _cell_length_b 8.62913872 _cell_length_c 8.62913872 _cell_angle_alpha 138.43077079 _cell_angle_beta 138.15821503 _cell_angle_gamma 60.45254535 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
72
72
# generated using pymatgen data_K2LiAlP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.12420200 _cell_length_b 6.16256200 _cell_length_c 14.91191200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,130
10,411
mp-632760
-1.381884
2.6718
Na2H6PtO6
0
['H', 'Na', 'O', 'Pt']
# generated using pymatgen data_Na2H6PtO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91767039 _cell_length_b 5.91767039 _cell_length_c 4.61623300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000435 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
147
147
# generated using pymatgen data_Na2H6PtO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91767039 _cell_length_b 5.91767039 _cell_length_c 4.61623300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,131
4,346
mp-5046
-2.386496
7.0754
BeSO4
0
['Be', 'S', 'O']
# generated using pymatgen data_BeSO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76455204 _cell_length_b 4.76455204 _cell_length_c 4.76455204 _cell_angle_alpha 122.31601156 _cell_angle_beta 122.31601156 _cell_angle_gamma 86.03327713 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
82
82
# generated using pymatgen data_BeSO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59680000 _cell_length_b 4.59680000 _cell_length_c 6.96725800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
25,132
27,667
mp-1210801
-0.5862
0.2201
MnAg2SnS4
0.013651
['Ag', 'Mn', 'S', 'Sn']
# generated using pymatgen data_MnAg2SnS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.78674200 _cell_length_b 7.19842700 _cell_length_c 8.00196300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
31
31
# generated using pymatgen data_MnAg2SnS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.78674200 _cell_length_b 7.19842700 _cell_length_c 8.00196300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,133
24,675
mp-1216063
-1.910346
0
Y4GeS3
0.006999
['Ge', 'S', 'Y']
# generated using pymatgen data_Y4GeS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01747102 _cell_length_b 4.01747102 _cell_length_c 13.06449032 _cell_angle_alpha 81.15538436 _cell_angle_beta 98.84461564 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_Y4GeS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01747102 _cell_length_b 4.01747102 _cell_length_c 38.57081772 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,134
6,518
mp-1070601
-2.976758
0
La2BiO2
0
['Bi', 'La', 'O']
# generated using pymatgen data_La2BiO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.71022027 _cell_length_b 7.71022027 _cell_length_c 7.71022027 _cell_angle_alpha 149.20578333 _cell_angle_beta 149.20578333 _cell_angle_gamma 44.10849133 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
139
139
# generated using pymatgen data_La2BiO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09424200 _cell_length_b 4.09424200 _cell_length_c 14.29210801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,135
18,527
mp-1071645
-0.270585
0
YInCu4
0
['Cu', 'In', 'Y']
# generated using pymatgen data_YInCu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12106813 _cell_length_b 5.12106813 _cell_length_c 5.12106813 _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_YInCu4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.24228400 _cell_length_b 7.24228400 _cell_length_c 7.24228400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,136
13,196
mp-1222769
-0.189691
0.1587
Li2Ga7
0
['Ga', 'Li']
# generated using pymatgen data_Li2Ga7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.51358549 _cell_length_b 7.51358549 _cell_length_c 7.51632044 _cell_angle_alpha 69.46222982 _cell_angle_beta 69.46222982 _cell_angle_gamma 69.30270544 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
8
8
# generated using pymatgen data_Li2Ga7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.36175800 _cell_length_b 8.54416800 _cell_length_c 7.51632044 _cell_angle_alpha 90.00000000 _cell_angle_beta 115.24366780 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,137
22,903
mp-644389
-0.436298
0
Li2H2Pd
0.003856
['Li', 'H', 'Pd']
# generated using pymatgen data_Li2H2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61508869 _cell_length_b 5.61508869 _cell_length_c 5.61508869 _cell_angle_alpha 147.72412827 _cell_angle_beta 147.72412827 _cell_angle_gamma 46.29277538 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
139
139
# generated using pymatgen data_Li2H2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12143600 _cell_length_b 3.12143600 _cell_length_c 10.32618800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,138
26,369
mp-560882
-1.143956
3.4647
SeO2
0.010188
['O', 'Se']
# generated using pymatgen data_SeO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66273300 _cell_length_b 5.21633500 _cell_length_c 7.93591800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Se...
26
26
# generated using pymatgen data_SeO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66273300 _cell_length_b 5.21633500 _cell_length_c 7.93591800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Se...
25,139
990
mvc-11744
-1.79113
0
Ca(TiS2)4
0
['Ca', 'S', 'Ti']
# generated using pymatgen data_Ca(TiS2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.87076199 _cell_length_b 7.87076199 _cell_length_c 7.87076186 _cell_angle_alpha 51.73470843 _cell_angle_beta 51.73470843 _cell_angle_gamma 51.73470487 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
166
166
# generated using pymatgen data_Ca(TiS2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86785619 _cell_length_b 6.86785619 _cell_length_c 20.39700208 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,140
25,939
mp-754459
-1.939969
1.7876
BCl(OF2)2
0.009036
['B', 'Cl', 'F', 'O']
# generated using pymatgen data_BCl(OF2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17852097 _cell_length_b 5.17852097 _cell_length_c 9.96566960 _cell_angle_alpha 85.29371256 _cell_angle_beta 85.29371256 _cell_angle_gamma 118.84641460 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
9
9
# generated using pymatgen data_BCl(OF2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26855200 _cell_length_b 8.91687600 _cell_length_c 9.96566960 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.28187444 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,141
11,037
mp-1087478
-0.574665
0
DyNiGe3
0
['Dy', 'Ge', 'Ni']
# generated using pymatgen data_DyNiGe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.98558035 _cell_length_b 10.98558035 _cell_length_c 4.09779600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 158.40598376 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
65
65
# generated using pymatgen data_DyNiGe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11585800 _cell_length_b 21.58220599 _cell_length_c 4.09779600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,142
2,816
mp-3555
-0.996884
0
LaSiIr
0
['Ir', 'La', 'Si']
# generated using pymatgen data_LaSiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.43190600 _cell_length_b 6.43190600 _cell_length_c 6.43190600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
198
198
# generated using pymatgen data_LaSiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.43190600 _cell_length_b 6.43190600 _cell_length_c 6.43190600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,143
37,771
mp-1227264
-2.314057
3.1896
CaCd(WO4)2
0.044989
['Ca', 'Cd', 'O', 'W']
# generated using pymatgen data_CaCd(WO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79690887 _cell_length_b 6.79690887 _cell_length_c 6.79690887 _cell_angle_alpha 133.85242720 _cell_angle_beta 133.85242720 _cell_angle_gamma 67.31859433 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
82
82
# generated using pymatgen data_CaCd(WO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32763800 _cell_length_b 5.32763800 _cell_length_c 11.31478800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,144
24,346
mp-27176
-1.738989
0.3063
NaMnCl3
0.006839
['Na', 'Mn', 'Cl']
# generated using pymatgen data_NaMnCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.36386410 _cell_length_b 7.36386410 _cell_length_c 7.36386393 _cell_angle_alpha 53.63794560 _cell_angle_beta 53.63794560 _cell_angle_gamma 53.63794069 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
148
148
# generated using pymatgen data_NaMnCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64475425 _cell_length_b 6.64475425 _cell_length_c 18.85683331 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,145
1,518
mp-10566
-0.497303
0
Lu3BC3
0
['B', 'C', 'Lu']
# generated using pymatgen data_Lu3BC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53598658 _cell_length_b 3.53598658 _cell_length_c 15.70778600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.39146416 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_Lu3BC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98352800 _cell_length_b 5.01769400 _cell_length_c 15.70778600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,146
42,481
mp-998732
-1.317347
0
TlInCl3
0.06466
['Cl', 'In', 'Tl']
# generated using pymatgen data_TlInCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41782731 _cell_length_b 5.41782731 _cell_length_c 5.41190010 _cell_angle_alpha 89.96436036 _cell_angle_beta 89.96436036 _cell_angle_gamma 90.05411044 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
8
8
# generated using pymatgen data_TlInCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.65834601 _cell_length_b 7.66558201 _cell_length_c 5.41190010 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.05042588 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,147
41,489
mvc-15644
-2.374358
0.0679
MgMoO3
0.059889
['Mg', 'Mo', 'O']
# generated using pymatgen data_MgMoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27952800 _cell_length_b 5.40317300 _cell_length_c 7.85049300 _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_MgMoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27952800 _cell_length_b 5.40317300 _cell_length_c 7.85049300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,148
12,117
mp-1187504
-0.895414
0
YbSmAu2
0
['Au', 'Sm', 'Yb']
# generated using pymatgen data_YbSmAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12811233 _cell_length_b 5.12811233 _cell_length_c 5.12811233 _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_YbSmAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.25224601 _cell_length_b 7.25224601 _cell_length_c 7.25224601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,149
27,450
mp-9179
-2.13834
0.5178
Ba3Zr2S7
0.011617
['Ba', 'Zr', 'S']
# generated using pymatgen data_Ba3Zr2S7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.40700331 _cell_length_b 13.40700331 _cell_length_c 13.40700331 _cell_angle_alpha 158.32843571 _cell_angle_beta 158.32843571 _cell_angle_gamma 30.83667950 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
139
139
# generated using pymatgen data_Ba3Zr2S7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04089200 _cell_length_b 5.04089200 _cell_length_c 25.84897999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,150
44,145
mp-1183367
0.073966
0
BaEu3
0.073966
['Ba', 'Eu']
# generated using pymatgen data_BaEu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49920510 _cell_length_b 6.49920510 _cell_length_c 6.49920510 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
225
225
# generated using pymatgen data_BaEu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.19126400 _cell_length_b 9.19126400 _cell_length_c 9.19126400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
25,151
16,317
mp-3650
-0.661126
0.0487
HfCu2Te3
0
['Hf', 'Cu', 'Te']
# generated using pymatgen data_HfCu2Te3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.41967830 _cell_length_b 10.41967830 _cell_length_c 7.32530261 _cell_angle_alpha 81.69673876 _cell_angle_beta 81.69673876 _cell_angle_gamma 22.58143061 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
12
12
# generated using pymatgen data_HfCu2Te3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 20.43604000 _cell_length_b 4.08008000 _cell_length_c 7.32530261 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.46832253 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,152
19,434
mp-861956
-0.442666
0
LiPm2Ir
0
['Li', 'Pm', 'Ir']
# generated using pymatgen data_LiPm2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05458878 _cell_length_b 5.05458878 _cell_length_c 5.05458878 _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_LiPm2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.14826800 _cell_length_b 7.14826800 _cell_length_c 7.14826800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,153
42,845
mp-645435
-1.632578
0.5543
Cu3Sn4PbO12
0.068064
['Cu', 'O', 'Pb', 'Sn']
# generated using pymatgen data_Cu3Sn4PbO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.76407410 _cell_length_b 6.76407410 _cell_length_c 6.76407410 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
204
204
# generated using pymatgen data_Cu3Sn4PbO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.81048001 _cell_length_b 7.81048001 _cell_length_c 7.81048001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,154
9,224
mp-1824
-0.275753
0
NdNi5
0
['Nd', 'Ni']
# generated using pymatgen data_NdNi5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95863262 _cell_length_b 4.95863262 _cell_length_c 3.94074200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000832 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_NdNi5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95863262 _cell_length_b 4.95863262 _cell_length_c 3.94074200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,155
26,878
mp-556468
-1.051541
2.0152
ZnS
0.01159
['S', 'Zn']
# generated using pymatgen data_ZnS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 25.25140555 _cell_length_b 25.25140555 _cell_length_c 25.25140516 _cell_angle_alpha 8.75590349 _cell_angle_beta 8.75590349 _cell_angle_gamma 8.75590496 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnS...
160
160
# generated using pymatgen data_ZnS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85514966 _cell_length_b 3.85514966 _cell_length_c 75.45935825 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Z...
25,156
6,839
mp-3207
-0.50995
0
Sr(NiGe)2
0
['Sr', 'Ni', 'Ge']
# generated using pymatgen data_Sr(NiGe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94197649 _cell_length_b 5.94197649 _cell_length_c 5.94197649 _cell_angle_alpha 138.67975711 _cell_angle_beta 138.67975711 _cell_angle_gamma 59.86349779 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
139
139
# generated using pymatgen data_Sr(NiGe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19294000 _cell_length_b 4.19294000 _cell_length_c 10.29887600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,157
45,008
mp-1030240
-0.788322
0.2671
Te4Mo3WS4
0.078915
['Mo', 'S', 'Te', 'W']
# generated using pymatgen data_Te4Mo3WS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35786937 _cell_length_b 3.35786937 _cell_length_c 38.29683500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998767 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
156
156
# generated using pymatgen data_Te4Mo3WS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35786937 _cell_length_b 3.35786937 _cell_length_c 38.29683500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,158
36,117
mp-1185219
-0.241583
0
LaCeZn2
0.037775
['Ce', 'La', 'Zn']
# generated using pymatgen data_LaCeZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24281777 _cell_length_b 5.24281777 _cell_length_c 5.24281777 _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_LaCeZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.41446400 _cell_length_b 7.41446400 _cell_length_c 7.41446400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,159
25,170
mp-1213263
-0.333248
0
Dy(GaCo)6
0.008633
['Co', 'Dy', 'Ga']
# generated using pymatgen data_Dy(GaCo)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45483837 _cell_length_b 6.45483837 _cell_length_c 6.45483837 _cell_angle_alpha 133.98613842 _cell_angle_beta 101.37056696 _cell_angle_gamma 96.22089685 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
71
71
# generated using pymatgen data_Dy(GaCo)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04565000 _cell_length_b 8.17930800 _cell_length_c 8.61975001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,160
23,612
mp-1186943
-0.749674
0
Sc2GaPd
0.005462
['Ga', 'Pd', 'Sc']
# generated using pymatgen data_Sc2GaPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73367685 _cell_length_b 4.73367685 _cell_length_c 4.73367685 _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_Sc2GaPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69443000 _cell_length_b 6.69443000 _cell_length_c 6.69443000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,161
34,896
mp-753049
-1.225495
0
NaNi5O6
0.032538
['Na', 'Ni', 'O']
# generated using pymatgen data_NaNi5O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21111723 _cell_length_b 5.21101758 _cell_length_c 5.21124982 _cell_angle_alpha 119.82876955 _cell_angle_beta 80.25912774 _cell_angle_gamma 80.26101164 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_NaNi5O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22461506 _cell_length_b 9.01815143 _cell_length_c 5.21111723 _cell_angle_alpha 90.00000000 _cell_angle_beta 109.72338651 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,162
21,022
mp-1080058
-1.369576
2.8548
KIO3
0.001241
['I', 'K', 'O']
# generated using pymatgen data_KIO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45503909 _cell_length_b 6.45503909 _cell_length_c 6.45503842 _cell_angle_alpha 59.12206366 _cell_angle_beta 59.12206366 _cell_angle_gamma 59.12206272 _symmetry_Int_Tables_number 1 _chemical_formula_structural KI...
161
161
# generated using pymatgen data_KIO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36919188 _cell_length_b 6.36919188 _cell_length_c 15.91565037 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,163
40,965
mp-849339
-1.942889
0
Mn3O5F
0.05669
['F', 'Mn', 'O']
# generated using pymatgen data_Mn3O5F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45439395 _cell_length_b 5.45439395 _cell_length_c 7.24299702 _cell_angle_alpha 71.21801804 _cell_angle_beta 71.21801804 _cell_angle_gamma 70.82506131 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
8
8
# generated using pymatgen data_Mn3O5F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.89067399 _cell_length_b 6.32120000 _cell_length_c 7.24299702 _cell_angle_alpha 90.00000000 _cell_angle_beta 113.26923047 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,164
14,964
mp-866297
-0.568861
0
EuCdAu2
0
['Au', 'Cd', 'Eu']
# generated using pymatgen data_EuCdAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07189027 _cell_length_b 5.07189027 _cell_length_c 5.07189027 _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_EuCdAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.17273601 _cell_length_b 7.17273601 _cell_length_c 7.17273601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,165
16,192
mp-13383
-0.806994
1.6484
ScAg(PSe3)2
0
['Ag', 'P', 'Sc', 'Se']
# generated using pymatgen data_ScAg(PSe3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.53503224 _cell_length_b 6.53503224 _cell_length_c 15.16892300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000240 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
163
163
# generated using pymatgen data_ScAg(PSe3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.53503224 _cell_length_b 6.53503224 _cell_length_c 15.16892300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,166
28,824
mp-21161
-1.050899
0
SmSnPt
0.016102
['Pt', 'Sm', 'Sn']
# generated using pymatgen data_SmSnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61687600 _cell_length_b 7.38493700 _cell_length_c 8.10256400 _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_SmSnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61687600 _cell_length_b 7.38493700 _cell_length_c 8.10256400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,167
44,245
mp-1227407
-0.274537
0.0638
Bi2Sb2Te3
0.075501
['Bi', 'Sb', 'Te']
# generated using pymatgen data_Bi2Sb2Te3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.02526982 _cell_length_b 14.02526982 _cell_length_c 14.02526981 _cell_angle_alpha 18.18010514 _cell_angle_beta 18.18010514 _cell_angle_gamma 18.18010366 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
166
166
# generated using pymatgen data_Bi2Sb2Te3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43161018 _cell_length_b 4.43161018 _cell_length_c 41.36975022 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,168
8,402
mp-676
-0.462819
3.4205
CaN6
0
['Ca', 'N']
# generated using pymatgen data_CaN6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.01757915 _cell_length_b 6.49727330 _cell_length_c 6.32318891 _cell_angle_alpha 77.40604967 _cell_angle_beta 52.26787805 _cell_angle_gamma 50.32607228 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca...
70
70
# generated using pymatgen data_CaN6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98593400 _cell_length_b 11.13999400 _cell_length_c 11.53372600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,169
36,897
mp-7526
0.003406
0
SnP
0.040619
['P', 'Sn']
# generated using pymatgen data_SnP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09545915 _cell_length_b 4.09545915 _cell_length_c 4.09545915 _cell_angle_alpha 123.69802847 _cell_angle_beta 123.69802847 _cell_angle_gamma 83.70592066 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
107
107
# generated using pymatgen data_SnP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86444800 _cell_length_b 3.86444800 _cell_length_c 6.10108400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnP...
25,170
2,717
mp-12759
-0.155827
0
Zn2CuAu
0
['Zn', 'Cu', 'Au']
# generated using pymatgen data_Zn2CuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50281100 _cell_length_b 4.69727100 _cell_length_c 5.56108700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
59
59
# generated using pymatgen data_Zn2CuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50281100 _cell_length_b 4.69727100 _cell_length_c 5.56108700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,171
20,928
mp-756103
-3.018166
2.1903
Y2HgO4
0.000506
['Hg', 'O', 'Y']
# generated using pymatgen data_Y2HgO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.10213475 _cell_length_b 7.10213475 _cell_length_c 10.16072215 _cell_angle_alpha 58.80340173 _cell_angle_beta 58.80340173 _cell_angle_gamma 29.78023639 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_Y2HgO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.72729599 _cell_length_b 3.65001600 _cell_length_c 10.16072215 _cell_angle_alpha 90.00000000 _cell_angle_beta 122.40999054 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,172
43,548
mp-1094392
0.03482
0
Y5Mg
0.0717
['Mg', 'Y']
# generated using pymatgen data_Y5Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20635517 _cell_length_b 6.20635517 _cell_length_c 5.59748700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999113 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y...
189
189
# generated using pymatgen data_Y5Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20635517 _cell_length_b 6.20635517 _cell_length_c 5.59748700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y...
25,173
17,192
mp-1221084
-1.629934
0.5262
NaCu2H3(SO5)2
0
['Cu', 'H', 'Na', 'O', 'S']
# generated using pymatgen data_NaCu2H3(SO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47611615 _cell_length_b 5.47611615 _cell_length_c 7.68369541 _cell_angle_alpha 66.05184756 _cell_angle_beta 66.05184756 _cell_angle_gamma 70.47693747 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
8
8
# generated using pymatgen data_NaCu2H3(SO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.94532000 _cell_length_b 6.31922800 _cell_length_c 7.68369541 _cell_angle_alpha 90.00000000 _cell_angle_beta 119.80020156 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
25,174
2,426
mp-8515
-3.009464
2.2083
BaSm2PdO5
0
['Ba', 'O', 'Pd', 'Sm']
# generated using pymatgen data_BaSm2PdO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.72815300 _cell_length_b 6.72815300 _cell_length_c 5.96205900 _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_BaSm2PdO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.72815300 _cell_length_b 6.72815300 _cell_length_c 5.96205900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,175
33,152
mp-1213794
-0.387289
0
CeCu2Si
0.02849
['Ce', 'Cu', 'Si']
# generated using pymatgen data_CeCu2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.92632383 _cell_length_b 8.92632383 _cell_length_c 4.07833800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 154.23043242 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_CeCu2Si _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98098400 _cell_length_b 17.40312601 _cell_length_c 4.07833800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,176
17,324
mp-351
-0.464199
0
SiNi
0
['Si', 'Ni']
# generated using pymatgen data_SiNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35012600 _cell_length_b 5.15462800 _cell_length_c 5.58064800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si...
62
62
# generated using pymatgen data_SiNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35012600 _cell_length_b 5.15462800 _cell_length_c 5.58064800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si...
25,177
17,132
mp-1205365
-0.476672
0
La2Zn5Sn
0
['La', 'Sn', 'Zn']
# generated using pymatgen data_La2Zn5Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.70987549 _cell_length_b 8.70987549 _cell_length_c 9.16035600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 149.53841457 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
63
63
# generated using pymatgen data_La2Zn5Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57630400 _cell_length_b 16.80788999 _cell_length_c 9.16035600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,178
28,733
mp-1222626
-3.027362
0.0003
Li2MgZrO4
0.016132
['Li', 'Mg', 'O', 'Zr']
# generated using pymatgen data_Li2MgZrO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.43389882 _cell_length_b 5.43389882 _cell_length_c 5.43389882 _cell_angle_alpha 133.81690079 _cell_angle_beta 133.81690079 _cell_angle_gamma 67.37413244 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
119
119
# generated using pymatgen data_Li2MgZrO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26236600 _cell_length_b 4.26236600 _cell_length_c 9.04286999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,179
33,599
mp-1184069
0.029276
0
CuNi
0.029276
['Cu', 'Ni']
# generated using pymatgen data_CuNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.49993370 _cell_length_b 2.49993370 _cell_length_c 4.14376100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999194 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
187
187
# generated using pymatgen data_CuNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.49993370 _cell_length_b 2.49993370 _cell_length_c 4.14376100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
25,180
895
mp-7703
-3.737122
4.0271
DyTaO4
0
['Dy', 'O', 'Ta']
# generated using pymatgen data_DyTaO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51878800 _cell_length_b 5.15441000 _cell_length_c 5.34478847 _cell_angle_alpha 83.42024172 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
13
13
# generated using pymatgen data_DyTaO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15441000 _cell_length_b 5.51878800 _cell_length_c 5.34478847 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.57975828 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,181
34,630
mp-1185396
-0.369427
0
LiPr2Ir
0.033436
['Ir', 'Li', 'Pr']
# generated using pymatgen data_LiPr2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13511127 _cell_length_b 5.13511127 _cell_length_c 5.13511127 _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_LiPr2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.26214400 _cell_length_b 7.26214400 _cell_length_c 7.26214400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,182
14,042
mp-1078751
-0.996546
0.8081
Na2PdSe2
0
['Na', 'Pd', 'Se']
# generated using pymatgen data_Na2PdSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73433660 _cell_length_b 5.73433660 _cell_length_c 11.40989500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 141.77734115 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
36
36
# generated using pymatgen data_Na2PdSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75489800 _cell_length_b 10.83656800 _cell_length_c 11.40989500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,183
3,867
mp-567908
-0.528223
0
Lu4B3C4
0
['B', 'C', 'Lu']
# generated using pymatgen data_Lu4B3C4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41419500 _cell_length_b 3.49909636 _cell_length_c 11.76727471 _cell_angle_alpha 92.63859807 _cell_angle_beta 96.05965910 _cell_angle_gamma 90.14601113 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
2
2
# generated using pymatgen data_Lu4B3C4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41419500 _cell_length_b 3.49909636 _cell_length_c 11.76727471 _cell_angle_alpha 92.63859807 _cell_angle_beta 96.05965910 _cell_angle_gamma 90.14601113 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,184
10,855
mp-568080
-1.044866
0
CeP2
0
['Ce', 'P']
# generated using pymatgen data_CeP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39150900 _cell_length_b 4.03603300 _cell_length_c 10.02601988 _cell_angle_alpha 73.22878593 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
14
14
# generated using pymatgen data_CeP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03603300 _cell_length_b 6.39150900 _cell_length_c 10.02601988 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.77121407 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,185
11,621
mp-1189046
-0.513222
0
Er(BIr)4
0
['B', 'Er', 'Ir']
# generated using pymatgen data_Er(BIr)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40279000 _cell_length_b 5.40279000 _cell_length_c 7.46239300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
137
137
# generated using pymatgen data_Er(BIr)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40279000 _cell_length_b 5.40279000 _cell_length_c 7.46239300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,186
34,207
mp-1218993
-0.937456
0
SmGePd
0.03143
['Ge', 'Pd', 'Sm']
# generated using pymatgen data_SmGePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62746300 _cell_length_b 4.48233100 _cell_length_c 4.48260480 _cell_angle_alpha 120.02234338 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
187
187
# generated using pymatgen data_SmGePd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48164250 _cell_length_b 4.48164250 _cell_length_c 3.62746300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,187
14,532
mp-1079130
-0.740848
0.1902
Ba2ZnBi2
0
['Ba', 'Bi', 'Zn']
# generated using pymatgen data_Ba2ZnBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.93813077 _cell_length_b 8.93813077 _cell_length_c 8.93813077 _cell_angle_alpha 132.26013015 _cell_angle_beta 131.02220952 _cell_angle_gamma 70.80105862 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
72
72
# generated using pymatgen data_Ba2ZnBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.23384000 _cell_length_b 7.41001200 _cell_length_c 14.57134200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,188
6,784
mp-20578
-0.509692
0
Eu(BIr)4
0
['B', 'Eu', 'Ir']
# generated using pymatgen data_Eu(BIr)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.69960200 _cell_length_b 7.69960200 _cell_length_c 3.98075100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
86
86
# generated using pymatgen data_Eu(BIr)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.69960200 _cell_length_b 7.69960200 _cell_length_c 3.98075100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,189
44,452
mp-838
0.061963
0
Cu3Sn
0.073619
['Cu', 'Sn']
# generated using pymatgen data_Cu3Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36005577 _cell_length_b 4.36005577 _cell_length_c 4.36005577 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
225
225
# generated using pymatgen data_Cu3Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16605000 _cell_length_b 6.16605000 _cell_length_c 6.16605000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
25,190
31,376
mp-557043
-3.022153
0
Ba2Nd2Ti2Cu2O11
0.021966
['Ba', 'Cu', 'Nd', 'O', 'Ti']
# generated using pymatgen data_Ba2Nd2Ti2Cu2O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93789300 _cell_length_b 3.93789300 _cell_length_c 16.03637000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_str...
123
123
# generated using pymatgen data_Ba2Nd2Ti2Cu2O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93789300 _cell_length_b 3.93789300 _cell_length_c 16.03637000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_str...
25,191
34,139
mp-1188282
-0.202828
0
FeCo2B
0.032176
['B', 'Co', 'Fe']
# generated using pymatgen data_FeCo2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35241200 _cell_length_b 5.20279900 _cell_length_c 6.57164500 _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_FeCo2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35241200 _cell_length_b 5.20279900 _cell_length_c 6.57164500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,192
35,307
mp-1523312
-2.635673
0
SrEuCrSbO6
0.034915
['Cr', 'Eu', 'O', 'Sb', 'Sr']
# generated using pymatgen data_SrEuCrSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66945542 _cell_length_b 5.66945542 _cell_length_c 5.66945542 _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_SrEuCrSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.01782075 _cell_length_b 8.01782075 _cell_length_c 8.01782075 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,193
26,376
mp-568806
0.010051
0
C
0.010051
['C']
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.46719205 _cell_length_b 2.46719205 _cell_length_c 3.83003200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000121 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _c...
191
191
# generated using pymatgen data_C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.46719205 _cell_length_b 2.46719205 _cell_length_c 3.83003200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C _c...
25,194
14,254
mp-16524
-0.9504
0
ScAlPd2
0
['Sc', 'Al', 'Pd']
# generated using pymatgen data_ScAlPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52002312 _cell_length_b 4.52002312 _cell_length_c 4.52002312 _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_ScAlPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39227800 _cell_length_b 6.39227800 _cell_length_c 6.39227800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,195
26,863
mp-37496
-2.222933
0
NaCe5S8
0.01149
['Ce', 'Na', 'S']
# generated using pymatgen data_NaCe5S8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.40560522 _cell_length_b 7.40560522 _cell_length_c 7.40560522 _cell_angle_alpha 109.55125406 _cell_angle_beta 109.55125406 _cell_angle_gamma 109.31127209 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
82
82
# generated using pymatgen data_NaCe5S8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.54280800 _cell_length_b 8.54280800 _cell_length_c 8.56812800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,196
33,804
mp-1279252
-1.983918
3.975
MnCO3
0.029907
['C', 'Mn', 'O']
# generated using pymatgen data_MnCO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86317207 _cell_length_b 6.19728265 _cell_length_c 7.70673788 _cell_angle_alpha 73.72312781 _cell_angle_beta 89.75279227 _cell_angle_gamma 89.68064922 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...
13
13
# generated using pymatgen data_MnCO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85336894 _cell_length_b 4.86317207 _cell_length_c 6.19728265 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.27687219 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,197
13,451
mp-865430
-1.531898
0
YTe
0
['Y', 'Te']
# generated using pymatgen data_YTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11352735 _cell_length_b 4.11352735 _cell_length_c 4.06092900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998959 _symmetry_Int_Tables_number 1 _chemical_formula_structural YT...
187
187
# generated using pymatgen data_YTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11352735 _cell_length_b 4.11352735 _cell_length_c 4.06092900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YT...
25,198
5,085
mp-1106301
-0.540349
0
Zr5CuSn3
0
['Cu', 'Sn', 'Zr']
# generated using pymatgen data_Zr5CuSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.67878004 _cell_length_b 8.67878004 _cell_length_c 5.87661100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000030 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
193
193
# generated using pymatgen data_Zr5CuSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.67878004 _cell_length_b 8.67878004 _cell_length_c 5.87661100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,199
714
mp-12535
-1.044171
2.1526
K2ZnTe2
0
['K', 'Te', 'Zn']
# generated using pymatgen data_K2ZnTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.74000669 _cell_length_b 8.74000669 _cell_length_c 8.74000669 _cell_angle_alpha 132.43951259 _cell_angle_beta 130.11260264 _cell_angle_gamma 71.39129211 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
72
72
# generated using pymatgen data_K2ZnTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.04846200 _cell_length_b 7.37180200 _cell_length_c 14.19600600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...