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
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0.08
elements
stringlengths
5
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cif
stringlengths
692
1.73k
spacegroup.number
int64
1
229
spacegroup.number.conv
int64
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229
cif.conv
stringlengths
696
5.07k
26,600
32,788
mp-1229119
-0.150794
0
Al(Ni4Pt)3
0.026604
['Al', 'Ni', 'Pt']
# generated using pymatgen data_Al(Ni4Pt)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62181900 _cell_length_b 3.62181900 _cell_length_c 14.50943000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
123
123
# generated using pymatgen data_Al(Ni4Pt)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62181900 _cell_length_b 3.62181900 _cell_length_c 14.50943000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
26,601
36,418
mp-757487
-2.806941
1.0136
VOF
0.038742
['F', 'O', 'V']
# generated using pymatgen data_VOF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10357600 _cell_length_b 4.75421400 _cell_length_c 14.19985200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VO...
31
31
# generated using pymatgen data_VOF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10357600 _cell_length_b 4.75421400 _cell_length_c 14.19985200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VO...
26,602
35,621
mp-1183936
-0.014469
0
Eu2Mg
0.037091
['Eu', 'Mg']
# generated using pymatgen data_Eu2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.52424049 _cell_length_b 9.52424049 _cell_length_c 5.99750800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 156.54035600 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_Eu2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87249800 _cell_length_b 18.65069401 _cell_length_c 5.99750800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,603
39,760
mp-1247249
-1.876838
1.0738
Dy3Mg2CrS8
0.053703
['Cr', 'Dy', 'Mg', 'S']
# generated using pymatgen data_Dy3Mg2CrS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.79011992 _cell_length_b 7.68739852 _cell_length_c 7.79124910 _cell_angle_alpha 59.53639485 _cell_angle_beta 59.99946658 _cell_angle_gamma 59.54991878 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
166
166
# generated using pymatgen data_Dy3Mg2CrS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.79068451 _cell_length_b 7.79068451 _cell_length_c 18.69915525 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
26,604
3,779
mp-21203
-0.718334
0
TbCoSi
0
['Co', 'Si', 'Tb']
# generated using pymatgen data_TbCoSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98958300 _cell_length_b 3.98958300 _cell_length_c 6.66585900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
129
129
# generated using pymatgen data_TbCoSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98958300 _cell_length_b 3.98958300 _cell_length_c 6.66585900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,605
36,362
mp-622618
-2.372738
0
BaLaNiRuO6
0.039393
['Ba', 'La', 'Ni', 'O', 'Ru']
# generated using pymatgen data_BaLaNiRuO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68431890 _cell_length_b 5.68431890 _cell_length_c 5.68431890 _cell_angle_alpha 120.56657933 _cell_angle_beta 120.56657933 _cell_angle_gamma 89.02142557 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
82
82
# generated using pymatgen data_BaLaNiRuO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63557000 _cell_length_b 5.63557000 _cell_length_c 8.10719600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
26,606
17,413
mp-7400
-0.189364
0
NaAlGe
0
['Na', 'Al', 'Ge']
# generated using pymatgen data_NaAlGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16839100 _cell_length_b 4.16839100 _cell_length_c 7.46982900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
129
129
# generated using pymatgen data_NaAlGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16839100 _cell_length_b 4.16839100 _cell_length_c 7.46982900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,607
3,409
mp-668
-0.693562
0
PrGa2
0
['Pr', 'Ga']
# generated using pymatgen data_PrGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30133802 _cell_length_b 4.30133802 _cell_length_c 4.35082400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000029 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_PrGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30133802 _cell_length_b 4.30133802 _cell_length_c 4.35082400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,608
30,967
mp-975658
0.020879
0
PrHo3
0.020879
['Pr', 'Ho']
# generated using pymatgen data_PrHo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.26881660 _cell_length_b 7.26881660 _cell_length_c 5.72264900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000543 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_PrHo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.26881660 _cell_length_b 7.26881660 _cell_length_c 5.72264900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,609
33,106
mp-1186614
0.027323
0
PmNd
0.027323
['Nd', 'Pm']
# generated using pymatgen data_PmNd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67280351 _cell_length_b 3.67280351 _cell_length_c 6.02925600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999115 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
187
187
# generated using pymatgen data_PmNd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67280351 _cell_length_b 3.67280351 _cell_length_c 6.02925600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
26,610
45,005
mp-1027355
-0.788178
0.2387
Te4Mo3WS4
0.079059
['Mo', 'S', 'Te', 'W']
# generated using pymatgen data_Te4Mo3WS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35798224 _cell_length_b 3.35798224 _cell_length_c 40.34375500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000482 _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 3.35798224 _cell_length_b 3.35798224 _cell_length_c 40.34375500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
26,611
37,102
mp-1177243
-2.233947
1.4904
Li4TiFe3O8
0.041946
['Fe', 'Li', 'O', 'Ti']
# generated using pymatgen data_Li4TiFe3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09079100 _cell_length_b 5.66119120 _cell_length_c 6.54054105 _cell_angle_alpha 90.55332340 _cell_angle_beta 90.09979509 _cell_angle_gamma 90.06975257 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
1
1
# generated using pymatgen data_Li4TiFe3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09079100 _cell_length_b 5.66119120 _cell_length_c 6.54054105 _cell_angle_alpha 90.55332340 _cell_angle_beta 90.09979509 _cell_angle_gamma 90.06975257 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
26,612
18,483
mp-977391
-0.0799
0
LiNd2Os
0
['Li', 'Nd', 'Os']
# generated using pymatgen data_LiNd2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05828412 _cell_length_b 5.05828412 _cell_length_c 5.05828412 _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_LiNd2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.15349400 _cell_length_b 7.15349400 _cell_length_c 7.15349400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,613
35,971
mp-9359
-1.766808
0.6183
ZnSi(AgO2)2
0.037362
['Ag', 'O', 'Si', 'Zn']
# generated using pymatgen data_ZnSi(AgO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57881800 _cell_length_b 5.53954500 _cell_length_c 8.87749451 _cell_angle_alpha 52.37256991 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
7
7
# generated using pymatgen data_ZnSi(AgO2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53954500 _cell_length_b 5.57881800 _cell_length_c 8.87749451 _cell_angle_alpha 90.00000000 _cell_angle_beta 127.62743009 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
26,614
9,101
mp-1183738
-0.698028
0
CeSb3
0
['Ce', 'Sb']
# generated using pymatgen data_CeSb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76554600 _cell_length_b 4.76554600 _cell_length_c 4.76554600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
221
221
# generated using pymatgen data_CeSb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76554600 _cell_length_b 4.76554600 _cell_length_c 4.76554600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
26,615
3,214
mp-1272139
-1.135951
0
SnBr2
0
['Br', 'Sn']
# generated using pymatgen data_SnBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40131500 _cell_length_b 4.40131560 _cell_length_c 6.85984700 _cell_angle_alpha 90.00001302 _cell_angle_beta 89.99998698 _cell_angle_gamma 120.00000303 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_SnBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.40131530 _cell_length_b 4.40131530 _cell_length_c 6.85984700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,616
18,141
mp-1205450
-1.820585
0
Pu2Se3
0
['Pu', 'Se']
# generated using pymatgen data_Pu2Se3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.10686800 _cell_length_b 4.10182800 _cell_length_c 10.97396800 _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_Pu2Se3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10182800 _cell_length_b 10.97396800 _cell_length_c 11.10686800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,617
44,456
mp-850915
-2.321011
1.6418
LiFe2O2F3
0.073923
['F', 'Fe', 'Li', 'O']
# generated using pymatgen data_LiFe2O2F3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37942334 _cell_length_b 5.37942334 _cell_length_c 10.21524674 _cell_angle_alpha 89.23003180 _cell_angle_beta 89.23003180 _cell_angle_gamma 41.91958171 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
12
12
# generated using pymatgen data_LiFe2O2F3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.04695201 _cell_length_b 3.84857600 _cell_length_c 10.21524674 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.82452931 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
26,618
11,649
mp-1209677
-1.461529
0
Pr6OsI10
0
['I', 'Os', 'Pr']
# generated using pymatgen data_Pr6OsI10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.07291588 _cell_length_b 10.03746871 _cell_length_c 10.17505144 _cell_angle_alpha 107.72325982 _cell_angle_beta 97.41781463 _cell_angle_gamma 105.16657072 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
2
2
# generated using pymatgen data_Pr6OsI10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.07291588 _cell_length_b 10.03746871 _cell_length_c 10.17505144 _cell_angle_alpha 107.72325982 _cell_angle_beta 97.41781463 _cell_angle_gamma 105.16657072 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
26,619
12,115
mp-1187426
-0.303289
0.1188
ThMgHg2
0
['Hg', 'Mg', 'Th']
# generated using pymatgen data_ThMgHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21264694 _cell_length_b 5.21264694 _cell_length_c 5.21264694 _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_ThMgHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.37179600 _cell_length_b 7.37179600 _cell_length_c 7.37179600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,620
1,953
mp-865639
-0.492043
0
LuPaRu2
0
['Lu', 'Pa', 'Ru']
# generated using pymatgen data_LuPaRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80225631 _cell_length_b 4.80225631 _cell_length_c 4.80225631 _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_LuPaRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79141600 _cell_length_b 6.79141600 _cell_length_c 6.79141600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,621
29,463
mp-9304
-2.268023
1.1846
DyCuSeO
0.016256
['Dy', 'Cu', 'Se', 'O']
# generated using pymatgen data_DyCuSeO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88800700 _cell_length_b 3.88800700 _cell_length_c 8.77260600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
129
129
# generated using pymatgen data_DyCuSeO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88800700 _cell_length_b 3.88800700 _cell_length_c 8.77260600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,622
18,965
mp-866127
-0.378223
0
LuTaOs2
0
['Lu', 'Ta', 'Os']
# generated using pymatgen data_LuTaOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59882593 _cell_length_b 4.59882593 _cell_length_c 4.59882593 _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_LuTaOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.50372200 _cell_length_b 6.50372200 _cell_length_c 6.50372200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,623
6,103
mp-1139
-0.052671
0
Co3Mo
0
['Co', 'Mo']
# generated using pymatgen data_Co3Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11215243 _cell_length_b 5.11215243 _cell_length_c 4.08870700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000560 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_Co3Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11215243 _cell_length_b 5.11215243 _cell_length_c 4.08870700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,624
10,736
mp-20857
-0.402078
0
CoB
0
['Co', 'B']
# generated using pymatgen data_CoB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06477000 _cell_length_b 3.92169600 _cell_length_c 5.16898300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoB...
62
62
# generated using pymatgen data_CoB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06477000 _cell_length_b 3.92169600 _cell_length_c 5.16898300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoB...
26,625
13,105
mp-1184201
-1.782673
0
Cs2SbCl6
0
['Cl', 'Cs', 'Sb']
# generated using pymatgen data_Cs2SbCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.58931769 _cell_length_b 7.58931769 _cell_length_c 7.58931769 _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_Cs2SbCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.73291601 _cell_length_b 10.73291601 _cell_length_c 10.73291601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
26,626
29,422
mp-754109
-2.775528
3.801
PrAsO4
0.01621
['As', 'O', 'Pr']
# generated using pymatgen data_PrAsO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97415423 _cell_length_b 6.97415423 _cell_length_c 6.97415423 _cell_angle_alpha 136.23094134 _cell_angle_beta 136.23094134 _cell_angle_gamma 63.62349770 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
88
88
# generated using pymatgen data_PrAsO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19905400 _cell_length_b 5.19905400 _cell_length_c 11.85305800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,627
34,168
mp-1212904
-0.344566
0
Dy5Co2Bi
0.030999
['Bi', 'Co', 'Dy']
# generated using pymatgen data_Dy5Co2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.63194713 _cell_length_b 8.63194713 _cell_length_c 8.63194713 _cell_angle_alpha 127.33741379 _cell_angle_beta 127.33741379 _cell_angle_gamma 77.70087762 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
140
140
# generated using pymatgen data_Dy5Co2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.65758600 _cell_length_b 7.65758600 _cell_length_c 13.44488000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
26,628
39,151
mp-1188284
-0.357804
0
Ce7Pd3
0.051782
['Ce', 'Pd']
# generated using pymatgen data_Ce7Pd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.23853900 _cell_length_b 9.87192570 _cell_length_c 9.87192570 _cell_angle_alpha 119.95021093 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
186
186
# generated using pymatgen data_Ce7Pd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.87192570 _cell_length_b 9.87192570 _cell_length_c 6.23853900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,629
18,667
mp-1218418
-2.471486
4.3173
Sr3Se2(ClO3)2
0
['Cl', 'O', 'Se', 'Sr']
# generated using pymatgen data_Sr3Se2(ClO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.26212267 _cell_length_b 7.26212267 _cell_length_c 6.78660897 _cell_angle_alpha 84.24815390 _cell_angle_beta 84.24815390 _cell_angle_gamma 45.68654389 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
5
5
# generated using pymatgen data_Sr3Se2(ClO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.38511201 _cell_length_b 5.63848200 _cell_length_c 6.78660897 _cell_angle_alpha 90.00000000 _cell_angle_beta 96.24322343 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
26,630
14,151
mp-1205533
-0.807225
1.8624
TlSnI3
0
['I', 'Sn', 'Tl']
# generated using pymatgen data_TlSnI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.94777489 _cell_length_b 7.94777489 _cell_length_c 11.92035300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 145.99221264 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_TlSnI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64844200 _cell_length_b 15.20067399 _cell_length_c 11.92035300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,631
37,911
mp-755139
-1.251903
1.8367
Li5BiS4
0.045049
['Bi', 'Li', 'S']
# generated using pymatgen data_Li5BiS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.90907751 _cell_length_b 7.90907751 _cell_length_c 7.90907751 _cell_angle_alpha 151.09898227 _cell_angle_beta 125.59815819 _cell_angle_gamma 62.77069508 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
71
71
# generated using pymatgen data_Li5BiS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94732000 _cell_length_b 7.23067200 _cell_length_c 13.50370599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,632
38,178
mp-1216927
-0.372259
0
TiCrSi4
0.047224
['Cr', 'Si', 'Ti']
# generated using pymatgen data_TiCrSi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.82295300 _cell_length_b 4.59633700 _cell_length_c 4.61425417 _cell_angle_alpha 60.42956155 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
3
3
# generated using pymatgen data_TiCrSi4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59633700 _cell_length_b 12.82295300 _cell_length_c 4.61425417 _cell_angle_alpha 90.00000000 _cell_angle_beta 119.57043845 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
26,633
43,085
mp-1113330
-2.101836
3.768
CsRb2YBr6
0.069938
['Br', 'Cs', 'Rb', 'Y']
# generated using pymatgen data_CsRb2YBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.77041653 _cell_length_b 8.77041653 _cell_length_c 8.77041653 _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_CsRb2YBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.40324200 _cell_length_b 12.40324200 _cell_length_c 12.40324200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
26,634
12,127
mp-1189871
-0.889406
0
Zr5Sn3N
0
['N', 'Sn', 'Zr']
# generated using pymatgen data_Zr5Sn3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.48803171 _cell_length_b 8.48803171 _cell_length_c 5.81355800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999770 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
193
193
# generated using pymatgen data_Zr5Sn3N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.48803171 _cell_length_b 8.48803171 _cell_length_c 5.81355800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,635
38,883
mp-752734
-1.824738
0.0241
LiAg2F4
0.049301
['Ag', 'F', 'Li']
# generated using pymatgen data_LiAg2F4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.89134500 _cell_length_b 3.30910800 _cell_length_c 5.58109139 _cell_angle_alpha 86.91362028 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
11
11
# generated using pymatgen data_LiAg2F4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30910800 _cell_length_b 10.89134500 _cell_length_c 5.58109139 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.08637972 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,636
7,571
mp-1105392
-0.859825
0.2124
Ce3Bi4Pt3
0
['Bi', 'Ce', 'Pt']
# generated using pymatgen data_Ce3Bi4Pt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.71346610 _cell_length_b 8.71346610 _cell_length_c 8.71346610 _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_Ce3Bi4Pt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.06144400 _cell_length_b 10.06144400 _cell_length_c 10.06144400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
26,637
43,642
mp-1187741
0.059199
0
VAu3
0.071252
['Au', 'V']
# generated using pymatgen data_VAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85359974 _cell_length_b 5.85359974 _cell_length_c 4.69982300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999703 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
194
194
# generated using pymatgen data_VAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85359974 _cell_length_b 5.85359974 _cell_length_c 4.69982300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
26,638
27,222
mp-1223377
-0.598327
0
La2CoSn4
0.01195
['Co', 'La', 'Sn']
# generated using pymatgen data_La2CoSn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61045487 _cell_length_b 4.65081784 _cell_length_c 8.87446791 _cell_angle_alpha 74.82876948 _cell_angle_beta 90.00799554 _cell_angle_gamma 90.06781375 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
38
38
# generated using pymatgen data_La2CoSn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65081784 _cell_length_b 17.13035133 _cell_length_c 4.61045487 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
26,639
20,728
mp-1227546
-2.860087
0.4835
Ca2LaRuO6
0.000383
['Ca', 'La', 'O', 'Ru']
# generated using pymatgen data_Ca2LaRuO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65444986 _cell_length_b 5.91143600 _cell_length_c 8.14967729 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.21030420 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
7
7
# generated using pymatgen data_Ca2LaRuO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65444986 _cell_length_b 5.91143600 _cell_length_c 9.90210868 _cell_angle_alpha 90.00000000 _cell_angle_beta 124.61185293 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
26,640
29,328
mp-21481
-0.331818
0
Pr3Pb
0.017072
['Pr', 'Pb']
# generated using pymatgen data_Pr3Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04549300 _cell_length_b 5.04549300 _cell_length_c 5.04549300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
221
221
# generated using pymatgen data_Pr3Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04549300 _cell_length_b 5.04549300 _cell_length_c 5.04549300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
26,641
39,745
mp-1227335
-0.503131
0.8169
Bi2Te2S
0.052268
['Bi', 'S', 'Te']
# generated using pymatgen data_Bi2Te2S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.36040844 _cell_length_b 10.36040844 _cell_length_c 10.36040838 _cell_angle_alpha 24.04924937 _cell_angle_beta 24.04924937 _cell_angle_gamma 24.04924655 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
160
160
# generated using pymatgen data_Bi2Te2S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.31681024 _cell_length_b 4.31681024 _cell_length_c 30.16849366 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
26,642
10,302
mp-2495
-2.267152
0
PrS
0
['Pr', 'S']
# generated using pymatgen data_PrS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10663294 _cell_length_b 4.10663294 _cell_length_c 4.10663294 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrS...
225
225
# generated using pymatgen data_PrS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80765600 _cell_length_b 5.80765600 _cell_length_c 5.80765600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PrS...
26,643
31,003
mp-1009086
-0.218712
0.9426
BeSnP2
0.021911
['Be', 'P', 'Sn']
# generated using pymatgen data_BeSnP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66257567 _cell_length_b 6.66257567 _cell_length_c 6.66257567 _cell_angle_alpha 131.78804643 _cell_angle_beta 131.78804643 _cell_angle_gamma 70.56399119 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
122
122
# generated using pymatgen data_BeSnP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44233400 _cell_length_b 5.44233400 _cell_length_c 10.87757600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,644
24,206
mp-1217963
-3.507894
3.2604
SrPrAlO4
0.006275
['Al', 'O', 'Pr', 'Sr']
# generated using pymatgen data_SrPrAlO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.80187528 _cell_length_b 6.80187528 _cell_length_c 6.80187528 _cell_angle_alpha 147.72797260 _cell_angle_beta 147.72797260 _cell_angle_gamma 46.28709574 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
107
107
# generated using pymatgen data_SrPrAlO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78073400 _cell_length_b 3.78073400 _cell_length_c 12.50896199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
26,645
829
mp-973283
-0.341304
0
HoLuAg2
0
['Ag', 'Ho', 'Lu']
# generated using pymatgen data_HoLuAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.06821755 _cell_length_b 5.06821755 _cell_length_c 5.06821755 _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_HoLuAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16754200 _cell_length_b 7.16754200 _cell_length_c 7.16754200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,646
6,646
mp-1205998
-3.567154
5.9785
Rb3TmF6
0
['F', 'Rb', 'Tm']
# generated using pymatgen data_Rb3TmF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79785165 _cell_length_b 6.79785165 _cell_length_c 6.79785165 _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_Rb3TmF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.61361400 _cell_length_b 9.61361400 _cell_length_c 9.61361400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,647
2,853
mp-5478
-0.944321
1.1514
TlPd3O4
0
['Tl', 'Pd', 'O']
# generated using pymatgen data_TlPd3O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90046699 _cell_length_b 6.90046699 _cell_length_c 6.90046699 _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_TlPd3O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.75873400 _cell_length_b 9.75873400 _cell_length_c 9.75873400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,648
4,891
mp-567566
-1.400939
0
Ho7FeI12
0
['Fe', 'Ho', 'I']
# generated using pymatgen data_Ho7FeI12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.74573406 _cell_length_b 9.74573406 _cell_length_c 9.74573441 _cell_angle_alpha 107.03202506 _cell_angle_beta 107.03202506 _cell_angle_gamma 107.03202563 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
148
148
# generated using pymatgen data_Ho7FeI12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.67159011 _cell_length_b 15.67159011 _cell_length_c 10.86359970 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
26,649
159
mp-1213703
-2.582432
5.1855
Cs3Ca2Cl7
0
['Ca', 'Cl', 'Cs']
# generated using pymatgen data_Cs3Ca2Cl7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.71298496 _cell_length_b 14.71298496 _cell_length_c 14.71298496 _cell_angle_alpha 158.64509981 _cell_angle_beta 158.64509981 _cell_angle_gamma 30.38054183 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
139
139
# generated using pymatgen data_Cs3Ca2Cl7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45204000 _cell_length_b 5.45204000 _cell_length_c 28.39785600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
26,650
10,797
mp-30580
-0.257988
0
SrGaCu2
0
['Sr', 'Ga', 'Cu']
# generated using pymatgen data_SrGaCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.87659500 _cell_length_b 5.87659500 _cell_length_c 5.87659477 _cell_angle_alpha 42.78113329 _cell_angle_beta 42.78113329 _cell_angle_gamma 42.78112861 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_SrGaCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28666418 _cell_length_b 4.28666418 _cell_length_c 15.99008568 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
26,651
25,325
mp-260
-0.520177
0
CrB
0.008645
['Cr', 'B']
# generated using pymatgen data_CrB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18931092 _cell_length_b 4.18931092 _cell_length_c 2.91639700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 139.11152235 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr...
63
63
# generated using pymatgen data_CrB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.92661600 _cell_length_b 7.85087401 _cell_length_c 2.91639700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrB...
26,652
29,596
mp-1176588
-1.479705
0.597
LiNiO2
0.018173
['Li', 'Ni', 'O']
# generated using pymatgen data_LiNiO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78777369 _cell_length_b 5.16899797 _cell_length_c 10.16615671 _cell_angle_alpha 75.27696755 _cell_angle_beta 82.11197026 _cell_angle_gamma 90.00298799 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
36
36
# generated using pymatgen data_LiNiO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.78777369 _cell_length_b 5.16899797 _cell_length_c 9.73284956 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,653
1,301
mp-21438
-0.75455
0
LaInAu
0
['Au', 'In', 'La']
# generated using pymatgen data_LaInAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.90234343 _cell_length_b 7.90234343 _cell_length_c 4.31956800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999526 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
189
189
# generated using pymatgen data_LaInAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.90234343 _cell_length_b 7.90234343 _cell_length_c 4.31956800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,654
33,697
mp-1217163
-1.667272
0
Ti5S8
0.029364
['S', 'Ti']
# generated using pymatgen data_Ti5S8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.41379000 _cell_length_b 5.94335000 _cell_length_c 11.88936686 _cell_angle_alpha 81.52748201 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
6
6
# generated using pymatgen data_Ti5S8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94335000 _cell_length_b 3.41379000 _cell_length_c 11.88936686 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.47251799 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,655
7,214
mp-13972
-3.421143
2.2962
Sm2SeO2
0
['O', 'Se', 'Sm']
# generated using pymatgen data_Sm2SeO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95649150 _cell_length_b 3.95649150 _cell_length_c 6.98478600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999157 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_Sm2SeO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95649150 _cell_length_b 3.95649150 _cell_length_c 6.98478600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,656
18,721
mp-19169
-3.166065
3.0347
PrVO4
0
['O', 'Pr', 'V']
# generated using pymatgen data_PrVO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22087035 _cell_length_b 6.22087035 _cell_length_c 6.22087035 _cell_angle_alpha 106.03427614 _cell_angle_beta 106.03427614 _cell_angle_gamma 116.58822210 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
141
141
# generated using pymatgen data_PrVO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.48465399 _cell_length_b 7.48465399 _cell_length_c 6.53886999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
26,657
3,801
mp-24092
-0.779776
0
GdH2
0
['Gd', 'H']
# generated using pymatgen data_GdH2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.75709592 _cell_length_b 3.75709592 _cell_length_c 3.75709592 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd...
225
225
# generated using pymatgen data_GdH2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31333601 _cell_length_b 5.31333601 _cell_length_c 5.31333601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd...
26,658
21,913
mp-7007
-1.154166
0
NbSe2
0.001839
['Nb', 'Se']
# generated using pymatgen data_NbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.70281477 _cell_length_b 12.46126158 _cell_length_c 3.48479367 _cell_angle_alpha 85.99538084 _cell_angle_beta 78.12228961 _cell_angle_gamma 15.88232955 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
42
42
# generated using pymatgen data_NbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48290800 _cell_length_b 6.03692800 _cell_length_c 24.67795600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,659
8,443
mp-865471
-0.23774
0
VGaTc2
0
['V', 'Ga', 'Tc']
# generated using pymatgen data_VGaTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30831959 _cell_length_b 4.30831959 _cell_length_c 4.30831959 _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_VGaTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09288400 _cell_length_b 6.09288400 _cell_length_c 6.09288400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,660
32,417
mp-754047
-1.754978
2.3729
Rb3SbO3
0.025497
['O', 'Rb', 'Sb']
# generated using pymatgen data_Rb3SbO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.91650469 _cell_length_b 6.91650469 _cell_length_c 7.82823515 _cell_angle_alpha 85.80007746 _cell_angle_beta 85.80007746 _cell_angle_gamma 107.92452618 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_Rb3SbO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.13820800 _cell_length_b 11.18578200 _cell_length_c 7.82823515 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.15102463 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,661
5,824
mp-31024
-2.179715
0
Sc5CCl8
0
['C', 'Cl', 'Sc']
# generated using pymatgen data_Sc5CCl8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.27303069 _cell_length_b 9.27303069 _cell_length_c 12.21018997 _cell_angle_alpha 51.06012307 _cell_angle_beta 51.06012307 _cell_angle_gamma 22.03662611 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_Sc5CCl8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 18.20418600 _cell_length_b 3.54457400 _cell_length_c 12.21018997 _cell_angle_alpha 90.00000000 _cell_angle_beta 129.81478207 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
26,662
44,372
mp-753382
-2.559165
3.3455
LiMnPO4
0.074574
['Li', 'Mn', 'O', 'P']
# generated using pymatgen data_LiMnPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37313100 _cell_length_b 9.39948800 _cell_length_c 4.37313100 _cell_angle_alpha 90.00000610 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000610 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
82
82
# generated using pymatgen data_LiMnPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37313100 _cell_length_b 4.37313100 _cell_length_c 9.39948800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,663
27,918
mp-754311
-2.389412
3.9436
Mg(ReO4)2
0.013436
['Mg', 'Re', 'O']
# generated using pymatgen data_Mg(ReO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81995039 _cell_length_b 5.81995039 _cell_length_c 6.14706600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000444 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
147
147
# generated using pymatgen data_Mg(ReO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81995039 _cell_length_b 5.81995039 _cell_length_c 6.14706600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
26,664
44,165
mp-1206030
-0.500673
0
Tm2Ge6Pt
0.074993
['Ge', 'Pt', 'Tm']
# generated using pymatgen data_Tm2Ge6Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05953000 _cell_length_b 4.07533500 _cell_length_c 11.14728757 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.49128702 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
38
38
# generated using pymatgen data_Tm2Ge6Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05953000 _cell_length_b 21.92186801 _cell_length_c 4.07533500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
26,665
3,503
mp-1008394
0
2.2818
Cl2
0
['Cl']
# generated using pymatgen data_Cl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38922771 _cell_length_b 4.38922771 _cell_length_c 8.60152500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 121.88432303 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cl...
64
64
# generated using pymatgen data_Cl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26362800 _cell_length_b 7.67351001 _cell_length_c 8.60152500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cl2...
26,666
25,885
mp-546684
-1.023207
0.7734
PdSeO3
0.009687
['O', 'Pd', 'Se']
# generated using pymatgen data_PdSeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07771697 _cell_length_b 5.07771697 _cell_length_c 7.26816561 _cell_angle_alpha 69.67270745 _cell_angle_beta 69.67270745 _cell_angle_gamma 89.12112339 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_PdSeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.23584000 _cell_length_b 7.12569000 _cell_length_c 7.26816561 _cell_angle_alpha 90.00000000 _cell_angle_beta 119.17954028 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,667
28,549
mp-1104569
-1.418264
2.7021
Yb(GaS2)2
0.015682
['Ga', 'S', 'Yb']
# generated using pymatgen data_Yb(GaS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86460907 _cell_length_b 5.86460907 _cell_length_c 10.09137600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.98766648 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
66
66
# generated using pymatgen data_Yb(GaS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04207600 _cell_length_b 10.05325200 _cell_length_c 10.09137600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
26,668
27,227
mp-1223928
-0.608576
0
Ho2ZnCuSi2
0.011915
['Cu', 'Ho', 'Si', 'Zn']
# generated using pymatgen data_Ho2ZnCuSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98707700 _cell_length_b 4.06116895 _cell_length_c 7.03454867 _cell_angle_alpha 90.03562587 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25
25
# generated using pymatgen data_Ho2ZnCuSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.98707700 _cell_length_b 4.06116895 _cell_length_c 7.03454867 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
26,669
27,103
mp-1185328
-0.256379
0
LiHo2In
0.011842
['Ho', 'In', 'Li']
# generated using pymatgen data_LiHo2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24851140 _cell_length_b 5.24851140 _cell_length_c 5.24851140 _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_LiHo2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.42251600 _cell_length_b 7.42251600 _cell_length_c 7.42251600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,670
31,089
mp-1176438
-2.744348
0.3206
MnF3
0.022258
['F', 'Mn']
# generated using pymatgen data_MnF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.80259800 _cell_length_b 5.41834900 _cell_length_c 5.41886508 _cell_angle_alpha 89.99033592 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn...
11
11
# generated using pymatgen data_MnF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41834900 _cell_length_b 7.80259800 _cell_length_c 5.41886508 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00966408 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn...
26,671
12,743
mp-204
-0.08164
0
CeFe2
0
['Ce', 'Fe']
# generated using pymatgen data_CeFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11080659 _cell_length_b 5.11080659 _cell_length_c 5.11080659 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
227
227
# generated using pymatgen data_CeFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.22777199 _cell_length_b 7.22777199 _cell_length_c 7.22777199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
26,672
15,262
mp-21483
-0.271853
0
Nd3In
0
['Nd', 'In']
# generated using pymatgen data_Nd3In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99229500 _cell_length_b 4.99229500 _cell_length_c 4.99229500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
221
221
# generated using pymatgen data_Nd3In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99229500 _cell_length_b 4.99229500 _cell_length_c 4.99229500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
26,673
10,437
mp-862857
-1.363178
0
PaS3
0
['Pa', 'S']
# generated using pymatgen data_PaS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76563889 _cell_length_b 5.76563889 _cell_length_c 5.00331600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001017 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
194
194
# generated using pymatgen data_PaS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76563889 _cell_length_b 5.76563889 _cell_length_c 5.00331600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
26,674
23,976
mp-973957
-0.279249
0
La2ZnAg
0.005721
['La', 'Zn', 'Ag']
# generated using pymatgen data_La2ZnAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38064986 _cell_length_b 5.38064986 _cell_length_c 5.38064986 _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_La2ZnAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.60938801 _cell_length_b 7.60938801 _cell_length_c 7.60938801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,675
2,559
mp-1102490
-1.91437
2.8067
Li3Ni2SbO6
0
['Li', 'Ni', 'O', 'Sb']
# generated using pymatgen data_Li3Ni2SbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23143504 _cell_length_b 5.23082861 _cell_length_c 5.23082861 _cell_angle_alpha 119.76367525 _cell_angle_beta 99.96922569 _cell_angle_gamma 99.96922569 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
12
12
# generated using pymatgen data_Li3Ni2SbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24950224 _cell_length_b 9.04925400 _cell_length_c 5.23143504 _cell_angle_alpha 90.00000000 _cell_angle_beta 110.18220801 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
26,676
4,613
mp-1187538
-0.229394
0
YbPmCu2
0
['Cu', 'Pm', 'Yb']
# generated using pymatgen data_YbPmCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94716653 _cell_length_b 4.94716653 _cell_length_c 4.94716653 _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_YbPmCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.99635000 _cell_length_b 6.99635000 _cell_length_c 6.99635000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,677
15,591
mp-1183041
-0.275022
0
ZrZnCo2
0
['Co', 'Zn', 'Zr']
# generated using pymatgen data_ZrZnCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28070283 _cell_length_b 4.28070283 _cell_length_c 4.28070283 _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_ZrZnCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05382800 _cell_length_b 6.05382800 _cell_length_c 6.05382800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,678
16,353
mp-554340
-2.824466
0
CrF2
0
['Cr', 'F']
# generated using pymatgen data_CrF2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57084207 _cell_length_b 4.80145500 _cell_length_c 4.85961684 _cell_angle_alpha 89.99919582 _cell_angle_beta 96.66106099 _cell_angle_gamma 90.00029567 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr...
14
14
# generated using pymatgen data_CrF2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57084207 _cell_length_b 4.80145500 _cell_length_c 5.68691994 _cell_angle_alpha 90.00000000 _cell_angle_beta 121.92327149 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
26,679
3,126
mp-1199
-0.073535
0
HoMg
0
['Ho', 'Mg']
# generated using pymatgen data_HoMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77539400 _cell_length_b 3.77539400 _cell_length_c 3.77539400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho...
221
221
# generated using pymatgen data_HoMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77539400 _cell_length_b 3.77539400 _cell_length_c 3.77539400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho...
26,680
11,767
mp-22443
-2.217374
2.9806
VInO4
0
['In', 'O', 'V']
# generated using pymatgen data_VInO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21936919 _cell_length_b 5.21936919 _cell_length_c 6.76519200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.86783259 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_VInO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84724600 _cell_length_b 8.64736799 _cell_length_c 6.76519200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
26,681
156
mp-11904
-2.742125
0
LiSm2IrO6
0
['Ir', 'Li', 'O', 'Sm']
# generated using pymatgen data_LiSm2IrO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82053300 _cell_length_b 5.39348300 _cell_length_c 9.35714379 _cell_angle_alpha 55.51113381 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
14
14
# generated using pymatgen data_LiSm2IrO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39348300 _cell_length_b 5.82053300 _cell_length_c 9.35714379 _cell_angle_alpha 90.00000000 _cell_angle_beta 124.48886619 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
26,682
34,053
mp-1103521
-0.121713
0
Sr8Rh5
0.030999
['Rh', 'Sr']
# generated using pymatgen data_Sr8Rh5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.31557800 _cell_length_b 7.31557800 _cell_length_c 7.31557800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
221
221
# generated using pymatgen data_Sr8Rh5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.31557800 _cell_length_b 7.31557800 _cell_length_c 7.31557800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,683
25,625
mp-1186588
-0.376215
0
PmHoAl2
0.009516
['Al', 'Ho', 'Pm']
# generated using pymatgen data_PmHoAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14187545 _cell_length_b 5.14187545 _cell_length_c 5.14187545 _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_PmHoAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.27171000 _cell_length_b 7.27171000 _cell_length_c 7.27171000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,684
22,981
mp-976008
-0.08598
0
NdTmMg2
0.003598
['Nd', 'Tm', 'Mg']
# generated using pymatgen data_NdTmMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39906716 _cell_length_b 5.39906716 _cell_length_c 5.39906716 _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_NdTmMg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.63543400 _cell_length_b 7.63543400 _cell_length_c 7.63543400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,685
11,217
mp-12814
-0.925972
0.6988
Ba3SbN
0
['Ba', 'Sb', 'N']
# generated using pymatgen data_Ba3SbN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.66724033 _cell_length_b 7.66724033 _cell_length_c 6.75528400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000286 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_Ba3SbN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.66724033 _cell_length_b 7.66724033 _cell_length_c 6.75528400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,686
24,237
mp-1221914
-1.786076
1.0581
Mn2CdTeO6
0.006104
['Cd', 'Mn', 'O', 'Te']
# generated using pymatgen data_Mn2CdTeO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40553900 _cell_length_b 6.42174993 _cell_length_c 6.42172786 _cell_angle_alpha 90.54412831 _cell_angle_beta 90.64109841 _cell_angle_gamma 90.76736304 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
1
1
# generated using pymatgen data_Mn2CdTeO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40553900 _cell_length_b 6.42174993 _cell_length_c 6.42172786 _cell_angle_alpha 90.54412831 _cell_angle_beta 90.64109841 _cell_angle_gamma 90.76736304 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
26,687
591
mp-2426
-0.221763
0
LiAg
0
['Li', 'Ag']
# generated using pymatgen data_LiAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19202000 _cell_length_b 3.19202000 _cell_length_c 3.19202000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li...
221
221
# generated using pymatgen data_LiAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19202000 _cell_length_b 3.19202000 _cell_length_c 3.19202000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li...
26,688
36,551
mp-1103149
-0.580471
1.3912
AgMoH4S4N
0.040361
['Ag', 'H', 'Mo', 'N', 'S']
# generated using pymatgen data_AgMoH4S4N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.53707979 _cell_length_b 6.53707979 _cell_length_c 6.53707979 _cell_angle_alpha 101.62686993 _cell_angle_beta 101.62686993 _cell_angle_gamma 126.65001310 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
82
82
# generated using pymatgen data_AgMoH4S4N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.26087600 _cell_length_b 8.26087600 _cell_length_c 5.86937000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
26,689
18,521
mp-1070152
-0.591725
0
Ca(CoSi)2
0
['Ca', 'Co', 'Si']
# generated using pymatgen data_Ca(CoSi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67446462 _cell_length_b 5.67446462 _cell_length_c 5.67446462 _cell_angle_alpha 139.72192608 _cell_angle_beta 139.72192608 _cell_angle_gamma 58.27575845 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
139
139
# generated using pymatgen data_Ca(CoSi)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.90743000 _cell_length_b 3.90743000 _cell_length_c 9.91272800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
26,690
9,910
mp-767
-0.570511
0
Yb3Ge5
0
['Yb', 'Ge']
# generated using pymatgen data_Yb3Ge5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.95098560 _cell_length_b 6.95098560 _cell_length_c 4.30009600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999623 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
189
189
# generated using pymatgen data_Yb3Ge5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.95098560 _cell_length_b 6.95098560 _cell_length_c 4.30009600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,691
31,571
mp-11571
-0.433819
0
YSn3
0.023756
['Y', 'Sn']
# generated using pymatgen data_YSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72751100 _cell_length_b 4.72751100 _cell_length_c 4.72751100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YS...
221
221
# generated using pymatgen data_YSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72751100 _cell_length_b 4.72751100 _cell_length_c 4.72751100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YS...
26,692
13,098
mp-1144
-1.608739
0
ErP
0
['Er', 'P']
# generated using pymatgen data_ErP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96930573 _cell_length_b 3.96930573 _cell_length_c 3.96930573 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErP...
225
225
# generated using pymatgen data_ErP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61344600 _cell_length_b 5.61344600 _cell_length_c 5.61344600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErP...
26,693
8,860
mp-4179
-2.981227
0
YbPO4
0
['O', 'P', 'Yb']
# generated using pymatgen data_YbPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82968777 _cell_length_b 5.82968777 _cell_length_c 5.82968777 _cell_angle_alpha 106.13227692 _cell_angle_beta 106.13227692 _cell_angle_gamma 116.37781299 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
141
141
# generated using pymatgen data_YbPO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00603400 _cell_length_b 7.00603400 _cell_length_c 6.14589400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y...
26,694
4,651
mp-1209881
-1.65176
2.1687
NbTlCl6
0
['Cl', 'Nb', 'Tl']
# generated using pymatgen data_NbTlCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97146633 _cell_length_b 6.97146633 _cell_length_c 12.51321874 _cell_angle_alpha 79.61137912 _cell_angle_beta 79.61137912 _cell_angle_gamma 55.42523721 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
15
15
# generated using pymatgen data_NbTlCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.34355599 _cell_length_b 6.48398000 _cell_length_c 12.51321874 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.75274635 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
26,695
22,698
mp-1222874
-3.670899
3.2836
LaPr3Al4O12
0.003721
['Al', 'La', 'O', 'Pr']
# generated using pymatgen data_LaPr3Al4O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36642100 _cell_length_b 5.36642100 _cell_length_c 7.62676400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
111
111
# generated using pymatgen data_LaPr3Al4O12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36642100 _cell_length_b 5.36642100 _cell_length_c 7.62676400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
26,696
36,873
mp-5663
-3.550276
2.4889
BaCeO3
0.040334
['Ba', 'Ce', 'O']
# generated using pymatgen data_BaCeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47419300 _cell_length_b 4.47419300 _cell_length_c 4.47419300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
221
221
# generated using pymatgen data_BaCeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47419300 _cell_length_b 4.47419300 _cell_length_c 4.47419300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,697
14,268
mp-19896
-1.062351
2.4018
Li2GePbS4
0
['Li', 'Ge', 'Pb', 'S']
# generated using pymatgen data_Li2GePbS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.10099473 _cell_length_b 6.10099473 _cell_length_c 6.10099473 _cell_angle_alpha 114.83991962 _cell_angle_beta 114.83991962 _cell_angle_gamma 99.19709218 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
121
121
# generated using pymatgen data_Li2GePbS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.57049400 _cell_length_b 6.57049400 _cell_length_c 7.90858800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
26,698
37,029
mp-1072824
-0.559141
0
DyCuSn
0.043168
['Cu', 'Dy', 'Sn']
# generated using pymatgen data_DyCuSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51780311 _cell_length_b 4.51780311 _cell_length_c 7.38094200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998690 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_DyCuSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51780311 _cell_length_b 4.51780311 _cell_length_c 7.38094200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,699
29,516
mp-1058581
0.018656
0
Ba
0.018656
['Ba']
# generated using pymatgen data_Ba _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51628266 _cell_length_b 4.51628266 _cell_length_c 7.36809800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 122.31780417 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba ...
63
63
# generated using pymatgen data_Ba _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35714800 _cell_length_b 7.91217401 _cell_length_c 7.36809800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba _...