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
23,400
6,890
mp-570813
-1.274765
0
Li2UI6
0
['I', 'Li', 'U']
# generated using pymatgen data_Li2UI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45959408 _cell_length_b 7.45959408 _cell_length_c 14.56155100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000072 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
163
163
# generated using pymatgen data_Li2UI6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45959408 _cell_length_b 7.45959408 _cell_length_c 14.56155100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,401
45,154
mp-571363
-0.899282
0
YbSbPd
0.079778
['Pd', 'Sb', 'Yb']
# generated using pymatgen data_YbSbPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69063385 _cell_length_b 4.69063385 _cell_length_c 4.69063385 _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_YbSbPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63355801 _cell_length_b 6.63355801 _cell_length_c 6.63355801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,402
26,941
mp-770855
-2.439021
1.4293
VCrO3
0.011546
['Cr', 'O', 'V']
# generated using pymatgen data_VCrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.49646519 _cell_length_b 5.49646519 _cell_length_c 8.83802963 _cell_angle_alpha 74.52920463 _cell_angle_beta 74.52920463 _cell_angle_gamma 55.66953971 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
5
5
# generated using pymatgen data_VCrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.72102400 _cell_length_b 5.13285600 _cell_length_c 8.83802963 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.55664699 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,403
39,458
mp-772478
-1.76264
0.739
Li4Co3TeO8
0.050091
['Co', 'Li', 'O', 'Te']
# generated using pymatgen data_Li4Co3TeO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01455815 _cell_length_b 6.01455815 _cell_length_c 6.01455822 _cell_angle_alpha 60.95335194 _cell_angle_beta 60.95335194 _cell_angle_gamma 60.95334922 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
166
166
# generated using pymatgen data_Li4Co3TeO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.10101814 _cell_length_b 6.10101814 _cell_length_c 14.62555714 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,404
40,281
mp-14628
-1.925918
1.3304
ZnSnO3
0.054929
['Zn', 'Sn', 'O']
# generated using pymatgen data_ZnSnO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.68761402 _cell_length_b 5.68761402 _cell_length_c 5.68761404 _cell_angle_alpha 56.44175825 _cell_angle_beta 56.44175825 _cell_angle_gamma 56.44176321 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
148
148
# generated using pymatgen data_ZnSnO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37902579 _cell_length_b 5.37902579 _cell_length_c 14.29471325 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,405
21,068
mp-11695
-0.949343
1.1976
Rb2Pd3S4
0.001652
['Rb', 'Pd', 'S']
# generated using pymatgen data_Rb2Pd3S4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.59493210 _cell_length_b 7.41476754 _cell_length_c 6.25916257 _cell_angle_alpha 77.37793877 _cell_angle_beta 57.33511682 _cell_angle_gamma 45.28694441 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
69
69
# generated using pymatgen data_Rb2Pd3S4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36915000 _cell_length_b 10.77693800 _cell_length_c 13.39212600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,406
12,239
mp-20111
-0.4019
0
EuAl2
0
['Eu', 'Al']
# generated using pymatgen data_EuAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78760819 _cell_length_b 5.78760819 _cell_length_c 5.78760819 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural E...
227
227
# generated using pymatgen data_EuAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.18491400 _cell_length_b 8.18491400 _cell_length_c 8.18491400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural E...
23,407
44,762
mp-1227033
-0.437982
0
CaSnHg
0.076896
['Ca', 'Hg', 'Sn']
# generated using pymatgen data_CaSnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99085233 _cell_length_b 4.99085233 _cell_length_c 3.80690700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000438 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
187
187
# generated using pymatgen data_CaSnHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99085233 _cell_length_b 4.99085233 _cell_length_c 3.80690700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,408
12,490
mp-977534
-0.368118
0
ZrNbTc2
0
['Zr', 'Nb', 'Tc']
# generated using pymatgen data_ZrNbTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58605841 _cell_length_b 4.58605841 _cell_length_c 4.58605841 _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_ZrNbTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48566600 _cell_length_b 6.48566600 _cell_length_c 6.48566600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,409
30,454
mp-973874
-0.186701
0
LiLa2Al
0.019053
['Li', 'La', 'Al']
# generated using pymatgen data_LiLa2Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41147830 _cell_length_b 5.41147830 _cell_length_c 5.41147830 _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_LiLa2Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.65298600 _cell_length_b 7.65298600 _cell_length_c 7.65298600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,410
13,246
mp-18740
-2.083382
2.5957
V2Cd2O7
0
['V', 'Cd', 'O']
# generated using pymatgen data_V2Cd2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84026919 _cell_length_b 5.84026919 _cell_length_c 5.10125904 _cell_angle_alpha 81.79328754 _cell_angle_beta 81.79328754 _cell_angle_gamma 104.53093405 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_V2Cd2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.14853400 _cell_length_b 9.23761000 _cell_length_c 5.10125904 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.48800737 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,411
32,303
mp-15120
-0.742237
0
RbFe2Se3
0.024889
['Rb', 'Fe', 'Se']
# generated using pymatgen data_RbFe2Se3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.76531454 _cell_length_b 7.76531454 _cell_length_c 5.45381400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 102.84080439 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
63
63
# generated using pymatgen data_RbFe2Se3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.68492000 _cell_length_b 12.14095400 _cell_length_c 5.45381400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,412
41,346
mp-542844
-2.228388
1.4183
V2O5
0.060634
['O', 'V']
# generated using pymatgen data_V2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47206057 _cell_length_b 6.47206057 _cell_length_c 5.39244706 _cell_angle_alpha 77.31237967 _cell_angle_beta 77.31237967 _cell_angle_gamma 42.81206347 _symmetry_Int_Tables_number 1 _chemical_formula_structural V2...
15
15
# generated using pymatgen data_V2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.05120199 _cell_length_b 4.72427800 _cell_length_c 5.39244706 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.64521353 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,413
20,534
mp-1080080
-3.721289
3.6667
LaAlO3
0.000904
['Al', 'La', 'O']
# generated using pymatgen data_LaAlO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40935286 _cell_length_b 5.40935286 _cell_length_c 5.40935286 _cell_angle_alpha 120.25732192 _cell_angle_beta 120.25732192 _cell_angle_gamma 89.55488021 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
140
140
# generated using pymatgen data_LaAlO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38830000 _cell_length_b 5.38830000 _cell_length_c 7.67963800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,414
43,913
mp-757905
-2.810496
0.1442
Li3Ti(PO4)2
0.072229
['Li', 'O', 'P', 'Ti']
# generated using pymatgen data_Li3Ti(PO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98165847 _cell_length_b 4.98165847 _cell_length_c 6.25105805 _cell_angle_alpha 89.60363661 _cell_angle_beta 89.60363661 _cell_angle_gamma 66.97717335 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
12
12
# generated using pymatgen data_Li3Ti(PO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.30936400 _cell_length_b 5.49746800 _cell_length_c 6.25105805 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.47525994 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,415
31,494
mvc-3192
-2.666107
2.0048
MgNiF5
0.022049
['F', 'Mg', 'Ni']
# generated using pymatgen data_MgNiF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19361107 _cell_length_b 5.19361107 _cell_length_c 7.45076136 _cell_angle_alpha 68.76573943 _cell_angle_beta 68.76573943 _cell_angle_gamma 70.79290539 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
15
15
# generated using pymatgen data_MgNiF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.46728600 _cell_length_b 6.01659800 _cell_length_c 7.45076136 _cell_angle_alpha 90.00000000 _cell_angle_beta 116.37893700 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,416
30,288
mp-1312206
-2.196909
1.923
V2FeO6
0.018971
['Fe', 'O', 'V']
# generated using pymatgen data_V2FeO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93431256 _cell_length_b 6.93536913 _cell_length_c 6.83138235 _cell_angle_alpha 95.58970288 _cell_angle_beta 75.26371190 _cell_angle_gamma 105.30655714 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
2
2
# generated using pymatgen data_V2FeO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93431256 _cell_length_b 6.83138235 _cell_length_c 6.93536913 _cell_angle_alpha 84.41029712 _cell_angle_beta 74.69344286 _cell_angle_gamma 75.26371190 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,417
6,412
mp-8136
-3.430777
1.1145
ThSO
0
['Th', 'S', 'O']
# generated using pymatgen data_ThSO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97997700 _cell_length_b 3.97997700 _cell_length_c 6.78733100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th...
129
129
# generated using pymatgen data_ThSO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97997700 _cell_length_b 3.97997700 _cell_length_c 6.78733100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th...
23,418
2,249
mp-1539
-1.108624
0
ZrTe
0
['Zr', 'Te']
# generated using pymatgen data_ZrTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79942649 _cell_length_b 3.79942649 _cell_length_c 3.89856900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000851 _symmetry_Int_Tables_number 1 _chemical_formula_structural Z...
187
187
# generated using pymatgen data_ZrTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79942649 _cell_length_b 3.79942649 _cell_length_c 3.89856900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Z...
23,419
30,145
mp-1208711
-2.021085
0
SmBr2
0.019426
['Br', 'Sm']
# generated using pymatgen data_SmBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97052000 _cell_length_b 7.07191800 _cell_length_c 15.16998000 _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_SmBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97052000 _cell_length_b 7.07191800 _cell_length_c 15.16998000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,420
7,789
mp-2306
-0.13246
0
LaMg3
0
['La', 'Mg']
# generated using pymatgen data_LaMg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30817000 _cell_length_b 5.30817000 _cell_length_c 5.30817000 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural L...
225
225
# generated using pymatgen data_LaMg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50688601 _cell_length_b 7.50688601 _cell_length_c 7.50688601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural L...
23,421
15,822
mp-30811
-0.107867
0
Ni4W
0
['Ni', 'W']
# generated using pymatgen data_Ni4W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42852769 _cell_length_b 4.42852769 _cell_length_c 4.42852769 _cell_angle_alpha 99.25761253 _cell_angle_beta 99.25761253 _cell_angle_gamma 132.70724546 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
87
87
# generated using pymatgen data_Ni4W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.73704199 _cell_length_b 5.73704199 _cell_length_c 3.55248200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni...
23,422
44,073
mp-1105161
-0.945141
0.1025
TlCu2(SeO5)2
0.075006
['Cu', 'O', 'Se', 'Tl']
# generated using pymatgen data_TlCu2(SeO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.83758156 _cell_length_b 5.83758156 _cell_length_c 8.86256520 _cell_angle_alpha 65.02819117 _cell_angle_beta 65.02819117 _cell_angle_gamma 65.11011798 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
12
12
# generated using pymatgen data_TlCu2(SeO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.84069999 _cell_length_b 6.28252000 _cell_length_c 8.86256520 _cell_angle_alpha 90.00000000 _cell_angle_beta 120.05770219 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
23,423
18,428
mp-768941
-2.749463
3.0351
Sr3TeO6
0
['O', 'Sr', 'Te']
# generated using pymatgen data_Sr3TeO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13200800 _cell_length_b 5.91197600 _cell_length_c 10.33893306 _cell_angle_alpha 55.09703287 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
14
14
# generated using pymatgen data_Sr3TeO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91197600 _cell_length_b 6.13200800 _cell_length_c 10.33893306 _cell_angle_alpha 90.00000000 _cell_angle_beta 124.90296713 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,424
34,148
mp-1205960
-2.993977
5.3443
K2SnF6
0.030602
['F', 'K', 'Sn']
# generated using pymatgen data_K2SnF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09916368 _cell_length_b 6.09916368 _cell_length_c 6.09916368 _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_K2SnF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.62552000 _cell_length_b 8.62552000 _cell_length_c 8.62552000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,425
40,854
mp-562517
-3.289106
4.6581
CaMg(SiO3)2
0.057778
['Ca', 'Mg', 'O', 'Si']
# generated using pymatgen data_CaMg(SiO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03863554 _cell_length_b 7.03863554 _cell_length_c 5.51826703 _cell_angle_alpha 75.83256429 _cell_angle_beta 75.83256429 _cell_angle_gamma 88.63825311 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
15
15
# generated using pymatgen data_CaMg(SiO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.07171800 _cell_length_b 9.83514400 _cell_length_c 5.51826703 _cell_angle_alpha 90.00000000 _cell_angle_beta 110.00466861 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
23,426
29,228
mp-1221497
-0.488377
0.1057
MnZnTe2
0.01673
['Mn', 'Te', 'Zn']
# generated using pymatgen data_MnZnTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43857600 _cell_length_b 4.43857600 _cell_length_c 6.26201600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
115
115
# generated using pymatgen data_MnZnTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43857600 _cell_length_b 4.43857600 _cell_length_c 6.26201600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,427
10,443
mp-864971
-0.11741
0
MnSnRu2
0
['Mn', 'Sn', 'Ru']
# generated using pymatgen data_MnSnRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41396842 _cell_length_b 4.41396842 _cell_length_c 4.41396842 _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_MnSnRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.24229400 _cell_length_b 6.24229400 _cell_length_c 6.24229400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,428
40,236
mp-1225811
-0.249381
0.1605
Cu2S
0.055824
['Cu', 'S']
# generated using pymatgen data_Cu2S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10850068 _cell_length_b 4.10850068 _cell_length_c 4.10850068 _cell_angle_alpha 96.34705194 _cell_angle_beta 59.13588425 _cell_angle_gamma 126.69439995 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
44
44
# generated using pymatgen data_Cu2S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68600623 _cell_length_b 4.05472282 _cell_length_c 6.12304600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cu...
23,429
22,848
mp-4538
-1.096118
0
TaSnS2
0.003389
['S', 'Sn', 'Ta']
# generated using pymatgen data_TaSnS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34089840 _cell_length_b 3.34089840 _cell_length_c 17.64769700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000790 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_TaSnS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34089840 _cell_length_b 3.34089840 _cell_length_c 17.64769700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,430
42,330
mp-542595
0.065661
0
Ge2W
0.065661
['Ge', 'W']
# generated using pymatgen data_Ge2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77266132 _cell_length_b 4.77266132 _cell_length_c 4.77266132 _cell_angle_alpha 139.00900282 _cell_angle_beta 139.00900282 _cell_angle_gamma 59.36112472 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_Ge2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34214000 _cell_length_b 3.34214000 _cell_length_c 8.29297201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge...
23,431
3,398
mp-570412
-0.966947
0
Yb(NiP)2
0
['Ni', 'P', 'Yb']
# generated using pymatgen data_Yb(NiP)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36787597 _cell_length_b 5.36787597 _cell_length_c 5.36787597 _cell_angle_alpha 137.65032020 _cell_angle_beta 137.65032020 _cell_angle_gamma 61.43897358 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
139
139
# generated using pymatgen data_Yb(NiP)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.87791600 _cell_length_b 3.87791600 _cell_length_c 9.22929600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,432
24,845
mp-35906
-1.53084
2.971
Y(AgCl2)3
0.007103
['Ag', 'Cl', 'Y']
# generated using pymatgen data_Y(AgCl2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.38330899 _cell_length_b 7.38330899 _cell_length_c 7.38330857 _cell_angle_alpha 56.56391989 _cell_angle_beta 56.56391989 _cell_angle_gamma 56.56392481 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
148
148
# generated using pymatgen data_Y(AgCl2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.99658562 _cell_length_b 6.99658562 _cell_length_c 18.54083656 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,433
29,874
mp-4563
-0.441503
0
Ti3TlC
0.017594
['Ti', 'Tl', 'C']
# generated using pymatgen data_Ti3TlC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26055500 _cell_length_b 4.26055500 _cell_length_c 4.26055500 _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_Ti3TlC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26055500 _cell_length_b 4.26055500 _cell_length_c 4.26055500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,434
92
mp-1213800
-1.061127
0
Ce3ZrSb5
0
['Ce', 'Sb', 'Zr']
# generated using pymatgen data_Ce3ZrSb5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.41220780 _cell_length_b 9.41220780 _cell_length_c 6.32728000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999858 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
193
193
# generated using pymatgen data_Ce3ZrSb5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.41220780 _cell_length_b 9.41220780 _cell_length_c 6.32728000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,435
16,240
mp-20539
-0.298336
0
ScIn3
0
['Sc', 'In']
# generated using pymatgen data_ScIn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53576100 _cell_length_b 4.53576100 _cell_length_c 4.53576100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
221
221
# generated using pymatgen data_ScIn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53576100 _cell_length_b 4.53576100 _cell_length_c 4.53576100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
23,436
5,213
mp-1227310
-0.486746
0
Ce2(InSn)3
0
['Ce', 'In', 'Sn']
# generated using pymatgen data_Ce2(InSn)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69290600 _cell_length_b 4.76869200 _cell_length_c 9.30654600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
47
47
# generated using pymatgen data_Ce2(InSn)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69290600 _cell_length_b 4.76869200 _cell_length_c 9.30654600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,437
34,118
mp-1185973
-0.108761
0
MgSn
0.031591
['Mg', 'Sn']
# generated using pymatgen data_MgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.91207075 _cell_length_b 5.91207075 _cell_length_c 5.39445791 _cell_angle_alpha 74.41933255 _cell_angle_beta 74.41933255 _cell_angle_gamma 32.49872954 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg...
12
12
# generated using pymatgen data_MgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.35180201 _cell_length_b 3.30861200 _cell_length_c 5.39445791 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.24652796 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,438
37,453
mp-776687
-2.994126
3.8561
Li5FeF8
0.042778
['F', 'Fe', 'Li']
# generated using pymatgen data_Li5FeF8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12540640 _cell_length_b 5.12540640 _cell_length_c 6.00598300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.19258841 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
65
65
# generated using pymatgen data_Li5FeF8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86550400 _cell_length_b 8.40684399 _cell_length_c 6.00598300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,439
38,942
mp-760382
-4.01077
0
ThUO4
0.048348
['O', 'Th', 'U']
# generated using pymatgen data_ThUO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91196100 _cell_length_b 3.91196100 _cell_length_c 5.54179700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
123
123
# generated using pymatgen data_ThUO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91196100 _cell_length_b 3.91196100 _cell_length_c 5.54179700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
23,440
12,297
mp-29676
-0.382679
0.029
Dy3AlC
0
['Al', 'C', 'Dy']
# generated using pymatgen data_Dy3AlC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88628700 _cell_length_b 4.88628700 _cell_length_c 4.88628700 _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_Dy3AlC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88628700 _cell_length_b 4.88628700 _cell_length_c 4.88628700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,441
660
mp-27835
-1.242113
0
K2OsBr6
0
['K', 'Os', 'Br']
# generated using pymatgen data_K2OsBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.44673243 _cell_length_b 7.44673243 _cell_length_c 7.44673243 _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_K2OsBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.53127000 _cell_length_b 10.53127000 _cell_length_c 10.53127000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,442
6,872
mp-556492
-1.946104
1.9695
CoPtF6
0
['Co', 'F', 'Pt']
# generated using pymatgen data_CoPtF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48256945 _cell_length_b 5.48256945 _cell_length_c 5.48256965 _cell_angle_alpha 56.52761071 _cell_angle_beta 56.52761071 _cell_angle_gamma 56.52762151 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
148
148
# generated using pymatgen data_CoPtF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19234359 _cell_length_b 5.19234359 _cell_length_c 13.77119547 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,443
27,297
mp-15722
-0.390068
0
Fe2B4Mo
0.011844
['Fe', 'B', 'Mo']
# generated using pymatgen data_Fe2B4Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65591248 _cell_length_b 6.65591248 _cell_length_c 6.65591248 _cell_angle_alpha 154.06531109 _cell_angle_beta 153.08028712 _cell_angle_gamma 37.72702777 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
71
71
# generated using pymatgen data_Fe2B4Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.98711600 _cell_length_b 3.09851400 _cell_length_c 12.59686599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,444
31,437
mp-757072
-1.993971
0.657
Li3Mn(FeO3)2
0.022613
['Fe', 'Li', 'Mn', 'O']
# generated using pymatgen data_Li3Mn(FeO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59951087 _cell_length_b 6.59951087 _cell_length_c 6.04968539 _cell_angle_alpha 76.30518127 _cell_angle_beta 76.30518127 _cell_angle_gamma 26.55864817 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
12
12
# generated using pymatgen data_Li3Mn(FeO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.84610400 _cell_length_b 3.03179600 _cell_length_c 6.04968539 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.07870165 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
23,445
30,892
mp-752787
-2.69294
3.4488
VOF3
0.021137
['F', 'O', 'V']
# generated using pymatgen data_VOF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.45385400 _cell_length_b 4.90888700 _cell_length_c 4.97563175 _cell_angle_alpha 85.54535392 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
14
14
# generated using pymatgen data_VOF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90888700 _cell_length_b 12.45385400 _cell_length_c 4.97563175 _cell_angle_alpha 90.00000000 _cell_angle_beta 94.45464608 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural V...
23,446
27,492
mp-997099
-0.573366
0
PdAuO2
0.012315
['Au', 'O', 'Pd']
# generated using pymatgen data_PdAuO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27222031 _cell_length_b 3.27222031 _cell_length_c 12.18840000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000618 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_PdAuO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.27222031 _cell_length_b 3.27222031 _cell_length_c 12.18840000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,447
37,208
mp-1218136
-1.25615
0
Ta4NiS8
0.041495
['Ni', 'S', 'Ta']
# generated using pymatgen data_Ta4NiS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36906982 _cell_length_b 3.36906982 _cell_length_c 24.42597700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999648 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
164
164
# generated using pymatgen data_Ta4NiS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.36906982 _cell_length_b 3.36906982 _cell_length_c 24.42597700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,448
37,543
mp-1094961
0.01688
0
Mg3Al
0.043991
['Al', 'Mg']
# generated using pymatgen data_Mg3Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37404874 _cell_length_b 5.37404874 _cell_length_c 5.37404874 _cell_angle_alpha 131.87510759 _cell_angle_beta 131.87510759 _cell_angle_gamma 70.42635252 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_Mg3Al _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38234400 _cell_length_b 4.38234400 _cell_length_c 8.78132801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...
23,449
1,134
mp-1189719
-1.252219
1.2917
Er3Tl2Cu5S8
0
['Cu', 'Er', 'S', 'Tl']
# generated using pymatgen data_Er3Tl2Cu5S8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.18413174 _cell_length_b 7.18413174 _cell_length_c 14.42163744 _cell_angle_alpha 69.58197486 _cell_angle_beta 69.58197486 _cell_angle_gamma 31.56722596 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
8
8
# generated using pymatgen data_Er3Tl2Cu5S8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.82652001 _cell_length_b 3.90824000 _cell_length_c 14.42163744 _cell_angle_alpha 90.00000000 _cell_angle_beta 111.25602345 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
23,450
4,598
mp-11356
-0.575056
0
La3Co2Sn7
0
['Co', 'La', 'Sn']
# generated using pymatgen data_La3Co2Sn7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.07998533 _cell_length_b 14.07998533 _cell_length_c 4.64500000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 161.00070032 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
65
65
# generated using pymatgen data_La3Co2Sn7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64756600 _cell_length_b 27.77380201 _cell_length_c 4.64500000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,451
701
mp-1106063
-0.721943
0
Pr7Pt3
0
['Pr', 'Pt']
# generated using pymatgen data_Pr7Pt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54456900 _cell_length_b 10.24738849 _cell_length_c 10.24738849 _cell_angle_alpha 119.85726920 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
186
186
# generated using pymatgen data_Pr7Pt3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.24738849 _cell_length_b 10.24738849 _cell_length_c 6.54456900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,452
35,935
mp-763331
-2.980561
3.0784
LiMn2F5
0.037168
['F', 'Li', 'Mn']
# generated using pymatgen data_LiMn2F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65629394 _cell_length_b 5.65629394 _cell_length_c 10.49180000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 137.27811296 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
63
63
# generated using pymatgen data_LiMn2F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12052000 _cell_length_b 10.53546200 _cell_length_c 10.49180000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,453
9,363
mp-570205
-1.94564
0.0009
PrSe2
0
['Pr', 'Se']
# generated using pymatgen data_PrSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22773000 _cell_length_b 8.48764400 _cell_length_c 8.61260249 _cell_angle_alpha 89.79807469 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
14
14
# generated using pymatgen data_PrSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.48764400 _cell_length_b 4.22773000 _cell_length_c 8.61260249 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.20192531 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
23,454
10,398
mp-571210
-1.18536
0
YGaI
0
['Ga', 'I', 'Y']
# generated using pymatgen data_YGaI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20897228 _cell_length_b 4.20897228 _cell_length_c 12.24278500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000441 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_YGaI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.20897228 _cell_length_b 4.20897228 _cell_length_c 12.24278500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,455
11,944
mp-862851
-1.153464
0
PaI3
0
['I', 'Pa']
# generated using pymatgen data_PaI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.43451931 _cell_length_b 11.43451931 _cell_length_c 3.99691200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999599 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_PaI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.43451931 _cell_length_b 11.43451931 _cell_length_c 3.99691200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,456
23,475
mp-9760
-3.057118
2.1174
BaTb2PdO5
0.004387
['Ba', 'O', 'Pd', 'Tb']
# generated using pymatgen data_BaTb2PdO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.61164600 _cell_length_b 6.61164600 _cell_length_c 5.93166600 _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_BaTb2PdO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.61164600 _cell_length_b 6.61164600 _cell_length_c 5.93166600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,457
24,354
mp-30009
-0.369858
2.9323
KrF2
0.006006
['F', 'Kr']
# generated using pymatgen data_KrF2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55223999 _cell_length_b 4.55223999 _cell_length_c 4.55223999 _cell_angle_alpha 122.44045171 _cell_angle_beta 122.44045171 _cell_angle_gamma 85.82255785 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_KrF2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38330000 _cell_length_b 4.38330000 _cell_length_c 6.66820200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Kr...
23,458
3,643
mp-1206743
-1.758278
0
HfS
0
['Hf', 'S']
# generated using pymatgen data_HfS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39349759 _cell_length_b 3.39349759 _cell_length_c 3.44509500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999197 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf...
187
187
# generated using pymatgen data_HfS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.39349759 _cell_length_b 3.39349759 _cell_length_c 3.44509500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf...
23,459
22,844
mp-3828
-3.444501
3.9484
BaAl2O4
0.00365
['Al', 'Ba', 'O']
# generated using pymatgen data_BaAl2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26727975 _cell_length_b 5.26727975 _cell_length_c 8.98096200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999686 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
182
182
# generated using pymatgen data_BaAl2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26727975 _cell_length_b 5.26727975 _cell_length_c 8.98096200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,460
31,218
mp-1219305
-0.229867
0
Si3NiMo12
0.021661
['Mo', 'Ni', 'Si']
# generated using pymatgen data_Si3NiMo12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92456200 _cell_length_b 4.92344000 _cell_length_c 9.85498000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
47
47
# generated using pymatgen data_Si3NiMo12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92344000 _cell_length_b 4.92456200 _cell_length_c 9.85498000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,461
44,003
mp-1018060
-0.132834
0
GaCo2Ni
0.075279
['Ga', 'Co', 'Ni']
# generated using pymatgen data_GaCo2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37357224 _cell_length_b 4.37357224 _cell_length_c 4.37357224 _cell_angle_alpha 131.55547191 _cell_angle_beta 131.55547191 _cell_angle_gamma 70.93202332 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
139
139
# generated using pymatgen data_GaCo2Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.58875600 _cell_length_b 3.58875600 _cell_length_c 7.12419801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,462
42,312
mp-2034
-0.016313
0
W2C
0.065448
['W', 'C']
# generated using pymatgen data_W2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75632200 _cell_length_b 5.23726500 _cell_length_c 6.11103400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural W2C...
60
60
# generated using pymatgen data_W2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75632200 _cell_length_b 5.23726500 _cell_length_c 6.11103400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural W2C...
23,463
37,747
mp-1224707
-0.376439
0
Fe2AsP
0.044086
['As', 'Fe', 'P']
# generated using pymatgen data_Fe2AsP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15826800 _cell_length_b 5.30109900 _cell_length_c 5.91243900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26
26
# generated using pymatgen data_Fe2AsP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15826800 _cell_length_b 5.30109900 _cell_length_c 5.91243900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,464
14,746
mp-16518
-0.536171
0
TmAl4Ni
0
['Al', 'Ni', 'Tm']
# generated using pymatgen data_TmAl4Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.88136752 _cell_length_b 7.88136752 _cell_length_c 6.65822300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 150.41602923 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_TmAl4Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02439200 _cell_length_b 15.24034399 _cell_length_c 6.65822300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,465
17,291
mp-2398
-0.468419
0
ScSn2
0
['Sc', 'Sn']
# generated using pymatgen data_ScSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.94725797 _cell_length_b 15.94725797 _cell_length_c 15.94725797 _cell_angle_alpha 164.56870584 _cell_angle_beta 164.56870584 _cell_angle_gamma 21.89013887 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
141
141
# generated using pymatgen data_ScSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.28205600 _cell_length_b 4.28205600 _cell_length_c 31.31434400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,466
35,913
mp-755284
-2.882082
0.9814
Cr4OF11
0.036007
['Cr', 'F', 'O']
# generated using pymatgen data_Cr4OF11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05681736 _cell_length_b 5.36117972 _cell_length_c 8.80062834 _cell_angle_alpha 74.05356005 _cell_angle_beta 90.47428214 _cell_angle_gamma 61.41682168 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
1
1
# generated using pymatgen data_Cr4OF11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05681736 _cell_length_b 5.32658144 _cell_length_c 8.89727270 _cell_angle_alpha 71.49525913 _cell_angle_beta 74.22378492 _cell_angle_gamma 62.10754500 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,467
1,920
mp-8279
-0.58091
0.6823
Ba(CdP)2
0
['Ba', 'Cd', 'P']
# generated using pymatgen data_Ba(CdP)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46200193 _cell_length_b 4.46200193 _cell_length_c 7.63308400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999892 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
164
164
# generated using pymatgen data_Ba(CdP)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46200193 _cell_length_b 4.46200193 _cell_length_c 7.63308400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,468
28,318
mp-22052
-0.894292
1.5312
Zn(InS2)2
0.01399
['Zn', 'In', 'S']
# generated using pymatgen data_Zn(InS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.60304263 _cell_length_b 7.60304263 _cell_length_c 7.60304263 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
227
227
# generated using pymatgen data_Zn(InS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.75232600 _cell_length_b 10.75232600 _cell_length_c 10.75232600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,469
43,986
mp-989190
-3.123795
3.3609
ScBrO
0.071496
['Br', 'O', 'Sc']
# generated using pymatgen data_ScBrO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63557600 _cell_length_b 3.63557600 _cell_length_c 8.56888800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
129
129
# generated using pymatgen data_ScBrO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63557600 _cell_length_b 3.63557600 _cell_length_c 8.56888800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
23,470
42,793
mp-1516967
-2.836473
0
NaEuZrWO6
0.066403
['Eu', 'Na', 'O', 'W', 'Zr']
# generated using pymatgen data_NaEuZrWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77474968 _cell_length_b 5.77474968 _cell_length_c 5.77474968 _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_NaEuZrWO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.16672932 _cell_length_b 8.16672932 _cell_length_c 8.16672932 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,471
32,155
mp-1208276
-0.613329
0
Ti2SiNi3
0.024277
['Ni', 'Si', 'Ti']
# generated using pymatgen data_Ti2SiNi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79842170 _cell_length_b 4.79842170 _cell_length_c 7.50276500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999582 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
194
194
# generated using pymatgen data_Ti2SiNi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79842170 _cell_length_b 4.79842170 _cell_length_c 7.50276500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,472
29,623
mp-1185321
-0.354481
0
LiAl2Au
0.017485
['Al', 'Au', 'Li']
# generated using pymatgen data_LiAl2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42285816 _cell_length_b 4.42285816 _cell_length_c 4.42285816 _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_LiAl2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25486599 _cell_length_b 6.25486599 _cell_length_c 6.25486599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,473
41,116
mp-1180973
-2.993676
3.8943
MgO
0.059691
['Mg', 'O']
# generated using pymatgen data_MgO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 20.05688641 _cell_length_b 20.05688641 _cell_length_c 20.05688677 _cell_angle_alpha 8.56341659 _cell_angle_beta 8.56341659 _cell_angle_gamma 8.56341897 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgO...
166
166
# generated using pymatgen data_MgO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.99490920 _cell_length_b 2.99490920 _cell_length_c 59.94664150 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...
23,474
30,545
mp-1102431
-0.036841
0
TbFe2
0.020333
['Fe', 'Tb']
# generated using pymatgen data_TbFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19444500 _cell_length_b 5.19444497 _cell_length_c 8.40955800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000659 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_TbFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19444498 _cell_length_b 5.19444498 _cell_length_c 8.40955800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,475
26,311
mp-20760
-0.354278
0
La2In
0.010419
['La', 'In']
# generated using pymatgen data_La2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65312760 _cell_length_b 5.65312760 _cell_length_c 7.13405400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999535 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_La2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65312760 _cell_length_b 5.65312760 _cell_length_c 7.13405400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,476
1,036
mp-1079239
-0.67697
0
Ho6MnTe2
0
['Ho', 'Mn', 'Te']
# generated using pymatgen data_Ho6MnTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08169000 _cell_length_b 8.25801991 _cell_length_c 8.26963956 _cell_angle_alpha 119.95352935 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
189
189
# generated using pymatgen data_Ho6MnTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.26382973 _cell_length_b 8.26382973 _cell_length_c 4.08169000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,477
20,652
mp-1217185
-1.493146
0
Ti3CoS6
0.000788
['Co', 'S', 'Ti']
# generated using pymatgen data_Ti3CoS6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56653053 _cell_length_b 6.56653053 _cell_length_c 6.56652996 _cell_angle_alpha 53.00570053 _cell_angle_beta 53.00570053 _cell_angle_gamma 53.00570245 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
148
148
# generated using pymatgen data_Ti3CoS6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.86052777 _cell_length_b 5.86052777 _cell_length_c 16.88302496 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,478
35,510
mp-1025322
-0.687855
0
V(CoSe2)2
0.037517
['V', 'Co', 'Se']
# generated using pymatgen data_V(CoSe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.51680213 _cell_length_b 6.51680213 _cell_length_c 6.34834019 _cell_angle_alpha 60.98992212 _cell_angle_beta 60.98992212 _cell_angle_gamma 31.16538233 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
12
12
# generated using pymatgen data_V(CoSe2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.55453801 _cell_length_b 3.50120200 _cell_length_c 6.34834019 _cell_angle_alpha 90.00000000 _cell_angle_beta 120.22977916 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,479
13,788
mp-29666
-0.565321
0.5442
Bi2Te2Se
0
['Bi', 'Te', 'Se']
# generated using pymatgen data_Bi2Te2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.04515190 _cell_length_b 11.04515190 _cell_length_c 11.04515139 _cell_angle_alpha 22.69494136 _cell_angle_beta 22.69494136 _cell_angle_gamma 22.69494229 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
166
166
# generated using pymatgen data_Bi2Te2Se _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34645586 _cell_length_b 4.34645586 _cell_length_c 32.26892245 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,480
32,325
mp-20565
-0.190857
0
MnCoGe
0.024855
['Mn', 'Co', 'Ge']
# generated using pymatgen data_MnCoGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09113985 _cell_length_b 4.09113985 _cell_length_c 5.14388200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999761 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_MnCoGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.09113985 _cell_length_b 4.09113985 _cell_length_c 5.14388200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,481
28,137
mp-1190406
-0.997245
1.7724
KHgI3
0.014892
['Hg', 'I', 'K']
# generated using pymatgen data_KHgI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.49522100 _cell_length_b 9.29600300 _cell_length_c 12.54621600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
33
33
# generated using pymatgen data_KHgI3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.49522100 _cell_length_b 9.29600300 _cell_length_c 12.54621600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,482
24,229
mp-1220437
-0.576085
0
Nd2MnFe3Si4
0.006659
['Fe', 'Mn', 'Nd', 'Si']
# generated using pymatgen data_Nd2MnFe3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99610500 _cell_length_b 3.99610500 _cell_length_c 10.00459000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
115
115
# generated using pymatgen data_Nd2MnFe3Si4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99610500 _cell_length_b 3.99610500 _cell_length_c 10.00459000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
23,483
14,133
mp-1188432
-0.611827
0
Dy4Ga12Pd
0
['Dy', 'Ga', 'Pd']
# generated using pymatgen data_Dy4Ga12Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.49715074 _cell_length_b 7.49715074 _cell_length_c 7.49715074 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
229
229
# generated using pymatgen data_Dy4Ga12Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.65696400 _cell_length_b 8.65696400 _cell_length_c 8.65696400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,484
31,097
mp-1183766
0.021411
0
Cs2KRb
0.021411
['Cs', 'K', 'Rb']
# generated using pymatgen data_Cs2KRb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.21821139 _cell_length_b 8.21821139 _cell_length_c 8.21821139 _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_Cs2KRb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.62230601 _cell_length_b 11.62230601 _cell_length_c 11.62230601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
23,485
9,896
mp-646
-0.317328
0
PrCd
0
['Pr', 'Cd']
# generated using pymatgen data_PrCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88533200 _cell_length_b 3.88533200 _cell_length_c 3.88533200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr...
221
221
# generated using pymatgen data_PrCd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88533200 _cell_length_b 3.88533200 _cell_length_c 3.88533200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr...
23,486
44,179
mp-1215372
-0.327178
0
Zr4NbAl3
0.075539
['Al', 'Nb', 'Zr']
# generated using pymatgen data_Zr4NbAl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33163200 _cell_length_b 8.18324973 _cell_length_c 8.19400768 _cell_angle_alpha 95.81249782 _cell_angle_beta 108.98600157 _cell_angle_gamma 70.98808128 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
12
12
# generated using pymatgen data_Zr4NbAl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 15.47372050 _cell_length_b 5.33163200 _cell_length_c 10.92073905 _cell_angle_alpha 90.00000000 _cell_angle_beta 134.80674821 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,487
41,932
mp-760276
-2.90679
0.5905
Li5MnOF5
0.061364
['F', 'Li', 'Mn', 'O']
# generated using pymatgen data_Li5MnOF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29806519 _cell_length_b 3.29806519 _cell_length_c 14.92510500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998368 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
156
156
# generated using pymatgen data_Li5MnOF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29806519 _cell_length_b 3.29806519 _cell_length_c 14.92510500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,488
6,818
mp-27971
-2.940649
5.1109
AcCl3
0
['Ac', 'Cl']
# generated using pymatgen data_AcCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.75418681 _cell_length_b 7.75418681 _cell_length_c 4.56520900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000693 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
176
176
# generated using pymatgen data_AcCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.75418681 _cell_length_b 7.75418681 _cell_length_c 4.56520900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,489
43,420
mp-761282
-2.925328
1.4788
DyWO4
0.069296
['Dy', 'O', 'W']
# generated using pymatgen data_DyWO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69303180 _cell_length_b 6.69303180 _cell_length_c 6.69303180 _cell_angle_alpha 133.58045416 _cell_angle_beta 133.58045416 _cell_angle_gamma 67.74403822 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
88
88
# generated using pymatgen data_DyWO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.27543000 _cell_length_b 5.27543000 _cell_length_c 11.11424200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,490
7,983
mp-977535
-0.335785
0
ErAlAg2
0
['Ag', 'Al', 'Er']
# generated using pymatgen data_ErAlAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81259421 _cell_length_b 4.81259421 _cell_length_c 4.81259421 _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_ErAlAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.80603600 _cell_length_b 6.80603600 _cell_length_c 6.80603600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,491
22,634
mp-1206762
-1.242332
0
Tb2NiAs2
0.003769
['As', 'Ni', 'Tb']
# generated using pymatgen data_Tb2NiAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13067433 _cell_length_b 4.13067433 _cell_length_c 14.22549900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000529 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
186
186
# generated using pymatgen data_Tb2NiAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13067433 _cell_length_b 4.13067433 _cell_length_c 14.22549900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,492
41,757
mp-1228380
-2.854025
0
Ba4Pr3BiO12
0.062162
['Ba', 'Bi', 'O', 'Pr']
# generated using pymatgen data_Ba4Pr3BiO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.34114700 _cell_length_b 6.38888107 _cell_length_c 9.00899979 _cell_angle_alpha 89.90316897 _cell_angle_beta 89.89923467 _cell_angle_gamma 89.99137274 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
2
2
# generated using pymatgen data_Ba4Pr3BiO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.34114700 _cell_length_b 6.38888107 _cell_length_c 9.00899979 _cell_angle_alpha 89.90316897 _cell_angle_beta 89.89923467 _cell_angle_gamma 89.99137274 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
23,493
3,041
mp-1080803
-0.466024
0
USnIr
0
['Ir', 'Sn', 'U']
# generated using pymatgen data_USnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.38004076 _cell_length_b 7.38004076 _cell_length_c 4.06165500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000682 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
189
189
# generated using pymatgen data_USnIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.38004076 _cell_length_b 7.38004076 _cell_length_c 4.06165500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,494
9,380
mp-636287
-0.473672
0
Eu3(GaNi)4
0
['Eu', 'Ga', 'Ni']
# generated using pymatgen data_Eu3(GaNi)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45569111 _cell_length_b 6.45569111 _cell_length_c 6.45569111 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
217
217
# generated using pymatgen data_Eu3(GaNi)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45439000 _cell_length_b 7.45439000 _cell_length_c 7.45439000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
23,495
24,991
mp-996994
-1.155324
0.5844
FeAuO2
0.006997
['Au', 'Fe', 'O']
# generated using pymatgen data_FeAuO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.35637253 _cell_length_b 6.20264027 _cell_length_c 7.16577721 _cell_angle_alpha 64.35180979 _cell_angle_beta 75.60689310 _cell_angle_gamma 89.99823343 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_FeAuO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09799424 _cell_length_b 3.09799424 _cell_length_c 18.62795905 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,496
25,053
mp-1103812
-1.135922
0
V4GeS8
0.008269
['Ge', 'S', 'V']
# generated using pymatgen data_V4GeS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.84591300 _cell_length_b 6.84591300 _cell_length_c 6.84591300 _cell_angle_alpha 120.32642637 _cell_angle_beta 119.03501322 _cell_angle_gamma 90.55750831 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
44
44
# generated using pymatgen data_V4GeS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81210799 _cell_length_b 6.94552200 _cell_length_c 9.63436599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,497
31,843
mp-31337
-0.435377
0
InPd3
0.023752
['In', 'Pd']
# generated using pymatgen data_InPd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04549200 _cell_length_b 4.04549200 _cell_length_c 4.04549200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural I...
221
221
# generated using pymatgen data_InPd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04549200 _cell_length_b 4.04549200 _cell_length_c 4.04549200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural I...
23,498
31,144
mp-1188110
-0.572972
0
Lu(BRh)4
0.022432
['B', 'Lu', 'Rh']
# generated using pymatgen data_Lu(BRh)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32565700 _cell_length_b 5.32565700 _cell_length_c 7.42021500 _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_Lu(BRh)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.32565700 _cell_length_b 5.32565700 _cell_length_c 7.42021500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
23,499
31,394
mp-625677
-2.228875
3.9227
Y(HO)3
0.02136
['H', 'O', 'Y']
# generated using pymatgen data_Y(HO)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38166971 _cell_length_b 6.38166971 _cell_length_c 3.51804300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999696 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
173
173
# generated using pymatgen data_Y(HO)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38166971 _cell_length_b 6.38166971 _cell_length_c 3.51804300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...