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
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0.08
band_gap
float64
0
17.9
pretty_formula
stringlengths
1
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e_above_hull
float64
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0.08
elements
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cif
stringlengths
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1.73k
spacegroup.number
int64
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spacegroup.number.conv
int64
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cif.conv
stringlengths
696
5.07k
25,400
24,194
mp-1215816
-0.803738
0.5049
Zn2InCuSe4
0.006335
['Cu', 'In', 'Se', 'Zn']
# generated using pymatgen data_Zn2InCuSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.10354895 _cell_length_b 7.10354895 _cell_length_c 7.10354895 _cell_angle_alpha 131.77319747 _cell_angle_beta 131.77319747 _cell_angle_gamma 70.58747355 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
121
121
# generated using pymatgen data_Zn2InCuSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80422400 _cell_length_b 5.80422400 _cell_length_c 11.59584400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,401
10,108
mp-1185457
-0.274582
0
Lu2CoCu
0
['Co', 'Cu', 'Lu']
# generated using pymatgen data_Lu2CoCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69989836 _cell_length_b 4.69989836 _cell_length_c 4.69989836 _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_Lu2CoCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64666000 _cell_length_b 6.64666000 _cell_length_c 6.64666000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,402
3,891
mp-6716
-2.560192
0
Ba4Zr(RuO4)3
0
['Ba', 'O', 'Ru', 'Zr']
# generated using pymatgen data_Ba4Zr(RuO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.32082214 _cell_length_b 10.32082214 _cell_length_c 10.32082279 _cell_angle_alpha 33.13238573 _cell_angle_beta 33.13238573 _cell_angle_gamma 33.13238154 _symmetry_Int_Tables_number 1 _chemical_formula_stru...
166
166
# generated using pymatgen data_Ba4Zr(RuO4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88540446 _cell_length_b 5.88540446 _cell_length_c 29.23628576 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struc...
25,403
31,515
mp-10532
-0.409333
0
Yb2AlSi2
0.023686
['Al', 'Si', 'Yb']
# generated using pymatgen data_Yb2AlSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82302900 _cell_length_b 6.82302900 _cell_length_c 4.58687400 _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_Yb2AlSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82302900 _cell_length_b 6.82302900 _cell_length_c 4.58687400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,404
41,542
mp-1096943
-0.521339
0
CuBrO2
0.063284
['Br', 'Cu', 'O']
# generated using pymatgen data_CuBrO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22228280 _cell_length_b 6.22228280 _cell_length_c 6.22228301 _cell_angle_alpha 29.78182213 _cell_angle_beta 29.78182213 _cell_angle_gamma 29.78182077 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_CuBrO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19799810 _cell_length_b 3.19799810 _cell_length_c 17.82609494 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,405
36,387
mp-754399
-1.376612
0.4418
Na4CuO3
0.038548
['Cu', 'Na', 'O']
# generated using pymatgen data_Na4CuO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31237053 _cell_length_b 6.31237053 _cell_length_c 8.12208793 _cell_angle_alpha 68.52509544 _cell_angle_beta 68.52509544 _cell_angle_gamma 53.96161329 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
9
9
# generated using pymatgen data_Na4CuO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.25064600 _cell_length_b 5.72774400 _cell_length_c 8.12208793 _cell_angle_alpha 90.00000000 _cell_angle_beta 114.25550396 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,406
18,228
mp-13947
-3.754169
7.1228
Rb2HfF6
0
['Rb', 'Hf', 'F']
# generated using pymatgen data_Rb2HfF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22337178 _cell_length_b 6.22337178 _cell_length_c 4.92576900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999771 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_Rb2HfF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.22337178 _cell_length_b 6.22337178 _cell_length_c 4.92576900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,407
3,442
mp-862941
-0.593269
0
PmMgRh2
0
['Mg', 'Pm', 'Rh']
# generated using pymatgen data_PmMgRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72799171 _cell_length_b 4.72799171 _cell_length_c 4.72799171 _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_PmMgRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68639000 _cell_length_b 6.68639000 _cell_length_c 6.68639000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,408
18,782
mp-2857
-2.093245
0.325
ScN
0
['Sc', 'N']
# generated using pymatgen data_ScN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19492764 _cell_length_b 3.19492764 _cell_length_c 3.19492764 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScN...
225
225
# generated using pymatgen data_ScN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51831000 _cell_length_b 4.51831000 _cell_length_c 4.51831000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScN...
25,409
23,345
mp-31059
-0.392345
0
Ba(AlGe)2
0.004233
['Ba', 'Al', 'Ge']
# generated using pymatgen data_Ba(AlGe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.27756585 _cell_length_b 7.27756585 _cell_length_c 7.27756585 _cell_angle_alpha 145.92070013 _cell_angle_beta 145.92070013 _cell_angle_gamma 48.96456475 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
139
139
# generated using pymatgen data_Ba(AlGe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26514000 _cell_length_b 4.26514000 _cell_length_c 13.24647200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,410
27,674
mp-1213642
-2.652175
5.0089
CsSrCl3
0.012823
['Cl', 'Cs', 'Sr']
# generated using pymatgen data_CsSrCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72938600 _cell_length_b 5.72938600 _cell_length_c 5.72938600 _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_CsSrCl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72938600 _cell_length_b 5.72938600 _cell_length_c 5.72938600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,411
27,680
mp-1215179
-0.055622
0
ZrTiCr4
0.012731
['Cr', 'Ti', 'Zr']
# generated using pymatgen data_ZrTiCr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96073025 _cell_length_b 4.96073025 _cell_length_c 4.96073025 _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_ZrTiCr4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01553200 _cell_length_b 7.01553200 _cell_length_c 7.01553200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,412
38,734
mp-1225545
-0.3329
0
ErCuNi
0.048842
['Cu', 'Er', 'Ni']
# generated using pymatgen data_ErCuNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12158130 _cell_length_b 5.12158130 _cell_length_c 5.12158130 _cell_angle_alpha 120.64965158 _cell_angle_beta 118.82960499 _cell_angle_gamma 90.45874179 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
74
74
# generated using pymatgen data_ErCuNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07120800 _cell_length_b 5.21191600 _cell_length_c 7.21395600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,413
9,010
mp-1025136
-0.370142
0
EuAl3Cu2
0
['Eu', 'Al', 'Cu']
# generated using pymatgen data_EuAl3Cu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42787866 _cell_length_b 5.42787866 _cell_length_c 4.11565700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000806 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
191
191
# generated using pymatgen data_EuAl3Cu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42787866 _cell_length_b 5.42787866 _cell_length_c 4.11565700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,414
40,409
mp-754840
-2.568779
2.8095
TaAsO4
0.055756
['As', 'O', 'Ta']
# generated using pymatgen data_TaAsO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.57809000 _cell_length_b 5.12719900 _cell_length_c 5.71334507 _cell_angle_alpha 79.09899422 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
7
7
# generated using pymatgen data_TaAsO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12719900 _cell_length_b 5.57809000 _cell_length_c 5.71334507 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.90100578 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,415
19,805
mp-30723
-0.137454
0
Th2Hg
0
['Hg', 'Th']
# generated using pymatgen data_Th2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.25369392 _cell_length_b 6.25369392 _cell_length_c 6.25369392 _cell_angle_alpha 102.77343379 _cell_angle_beta 102.77343379 _cell_angle_gamma 123.90429614 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
140
140
# generated using pymatgen data_Th2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.80537000 _cell_length_b 7.80537000 _cell_length_c 5.88108400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
25,416
3,141
mp-1206564
-0.442283
0
SmRe2SiC
0
['C', 'Re', 'Si', 'Sm']
# generated using pymatgen data_SmRe2SiC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81540873 _cell_length_b 5.81540873 _cell_length_c 7.33355100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 139.75942903 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
63
63
# generated using pymatgen data_SmRe2SiC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00091000 _cell_length_b 10.92101799 _cell_length_c 7.33355100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,417
19,105
mp-1183837
-0.025788
0
Co3Ni
0
['Co', 'Ni']
# generated using pymatgen data_Co3Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98557919 _cell_length_b 4.98557919 _cell_length_c 4.02774600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998928 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_Co3Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98557919 _cell_length_b 4.98557919 _cell_length_c 4.02774600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,418
5,895
mp-574448
-1.752188
0.8567
RbGd2CuSe4
0
['Cu', 'Gd', 'Rb', 'Se']
# generated using pymatgen data_RbGd2CuSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.52378643 _cell_length_b 7.52378643 _cell_length_c 14.51504000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 147.72993019 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
63
63
# generated using pymatgen data_RbGd2CuSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18175200 _cell_length_b 14.45483999 _cell_length_c 14.51504000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
25,419
9,517
mp-1068364
-0.613193
0
CeSi3Os
0
['Ce', 'Os', 'Si']
# generated using pymatgen data_CeSi3Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81895387 _cell_length_b 5.81895387 _cell_length_c 5.81895387 _cell_angle_alpha 137.55246453 _cell_angle_beta 137.55246453 _cell_angle_gamma 61.58911584 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
107
107
# generated using pymatgen data_CeSi3Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21305400 _cell_length_b 4.21305400 _cell_length_c 9.99706200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,420
15,862
mp-542568
-0.171869
0
EuAg5
0
['Ag', 'Eu']
# generated using pymatgen data_EuAg5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72709496 _cell_length_b 5.72709496 _cell_length_c 4.69666600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001107 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_EuAg5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72709496 _cell_length_b 5.72709496 _cell_length_c 4.69666600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,421
31,586
mp-1184065
0.023993
0
Dy3Ho
0.023993
['Dy', 'Ho']
# generated using pymatgen data_Dy3Ho _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99780500 _cell_length_b 4.99780500 _cell_length_c 4.99780500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural D...
221
221
# generated using pymatgen data_Dy3Ho _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99780500 _cell_length_b 4.99780500 _cell_length_c 4.99780500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural D...
25,422
36,076
mp-1120752
-1.687242
0.8959
K2Fe4O7
0.03832
['Fe', 'K', 'O']
# generated using pymatgen data_K2Fe4O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30839172 _cell_length_b 5.30839172 _cell_length_c 6.98524300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999649 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
162
162
# generated using pymatgen data_K2Fe4O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30839172 _cell_length_b 5.30839172 _cell_length_c 6.98524300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,423
20,342
mp-557728
-0.574394
1.322
KCu4AsS4
0
['As', 'Cu', 'K', 'S']
# generated using pymatgen data_KCu4AsS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.41859400 _cell_length_b 6.58497500 _cell_length_c 9.60353398 _cell_angle_alpha 76.79937090 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
4
4
# generated using pymatgen data_KCu4AsS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.58497500 _cell_length_b 6.41859400 _cell_length_c 9.60353398 _cell_angle_alpha 90.00000000 _cell_angle_beta 103.20062910 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,424
39,913
mp-755217
-1.78999
1.4555
Cs2BaO2
0.052516
['Ba', 'Cs', 'O']
# generated using pymatgen data_Cs2BaO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.05114300 _cell_length_b 7.35710800 _cell_length_c 11.50451800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
60
60
# generated using pymatgen data_Cs2BaO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.05114300 _cell_length_b 7.35710800 _cell_length_c 11.50451800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,425
17,856
mp-555186
-1.150138
2.2076
Li2ZnSnS4
0
['Li', 'S', 'Sn', 'Zn']
# generated using pymatgen data_Li2ZnSnS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79705000 _cell_length_b 6.45917600 _cell_length_c 10.31087305 _cell_angle_alpha 51.10778504 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
7
7
# generated using pymatgen data_Li2ZnSnS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45917600 _cell_length_b 6.79705000 _cell_length_c 10.31087305 _cell_angle_alpha 90.00000000 _cell_angle_beta 128.89221496 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,426
12,057
mp-1102117
-1.059425
0
YbAlPt
0
['Al', 'Pt', 'Yb']
# generated using pymatgen data_YbAlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21060500 _cell_length_b 7.16715500 _cell_length_c 7.86925900 _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_YbAlPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21060500 _cell_length_b 7.16715500 _cell_length_c 7.86925900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,427
8,241
mp-20355
-0.717145
0
Ce2CoSi3
0
['Ce', 'Co', 'Si']
# generated using pymatgen data_Ce2CoSi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.03831389 _cell_length_b 8.03831389 _cell_length_c 4.10653400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999909 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
191
191
# generated using pymatgen data_Ce2CoSi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.03831389 _cell_length_b 8.03831389 _cell_length_c 4.10653400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,428
27,707
mp-1218358
-3.540679
2.0853
SrCaTi2O6
0.01349
['Ca', 'O', 'Sr', 'Ti']
# generated using pymatgen data_SrCaTi2O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52465300 _cell_length_b 5.52903200 _cell_length_c 7.81389500 _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_SrCaTi2O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52465300 _cell_length_b 5.52903200 _cell_length_c 7.81389500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,429
35,843
mp-33746
-2.664232
4.2823
SrCO3
0.036158
['C', 'O', 'Sr']
# generated using pymatgen data_SrCO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37156250 _cell_length_b 4.37156250 _cell_length_c 8.37043780 _cell_angle_alpha 71.76304182 _cell_angle_beta 71.76304182 _cell_angle_gamma 72.89891294 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
12
12
# generated using pymatgen data_SrCO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03280600 _cell_length_b 5.19440800 _cell_length_c 8.37043780 _cell_angle_alpha 90.00000000 _cell_angle_beta 112.89563959 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,430
34,389
mp-6616
-2.191337
0
Ba2HoCu3O7
0.031852
['Ba', 'Cu', 'Ho', 'O']
# generated using pymatgen data_Ba2HoCu3O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83672900 _cell_length_b 3.91933500 _cell_length_c 11.79118600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
47
47
# generated using pymatgen data_Ba2HoCu3O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83672900 _cell_length_b 3.91933500 _cell_length_c 11.79118600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,431
14,303
mp-23339
-1.002903
4.5138
NaBrO3
0
['Na', 'Br', 'O']
# generated using pymatgen data_NaBrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82000200 _cell_length_b 6.82000200 _cell_length_c 6.82000200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
198
198
# generated using pymatgen data_NaBrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82000200 _cell_length_b 6.82000200 _cell_length_c 6.82000200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,432
32,548
mp-1103581
-0.276449
0
UCo4B
0.026843
['B', 'Co', 'U']
# generated using pymatgen data_UCo4B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87750951 _cell_length_b 4.87750951 _cell_length_c 6.90029500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999334 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_UCo4B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87750951 _cell_length_b 4.87750951 _cell_length_c 6.90029500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,433
43,871
mp-754508
-2.014487
0
MgFeO3
0.071671
['Fe', 'Mg', 'O']
# generated using pymatgen data_MgFeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50643010 _cell_length_b 5.50643010 _cell_length_c 5.50642991 _cell_angle_alpha 55.14471712 _cell_angle_beta 55.14471712 _cell_angle_gamma 55.14472315 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
148
148
# generated using pymatgen data_MgFeO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09750570 _cell_length_b 5.09750570 _cell_length_c 13.96185001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,434
19,356
mp-505489
-2.207669
0
Sc7BCl12
0
['B', 'Cl', 'Sc']
# generated using pymatgen data_Sc7BCl12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.17692637 _cell_length_b 8.17692637 _cell_length_c 8.17692659 _cell_angle_alpha 107.46397739 _cell_angle_beta 107.46397739 _cell_angle_gamma 107.46398018 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
148
148
# generated using pymatgen data_Sc7BCl12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.18543597 _cell_length_b 13.18543597 _cell_length_c 8.95499695 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,435
17,415
mp-753594
-2.215955
2.6891
BiOF
0
['Bi', 'O', 'F']
# generated using pymatgen data_BiOF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01417700 _cell_length_b 4.01417700 _cell_length_c 5.80658000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi...
129
129
# generated using pymatgen data_BiOF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01417700 _cell_length_b 4.01417700 _cell_length_c 5.80658000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi...
25,436
7,717
mp-13137
-1.464981
0
Hf2CS
0
['Hf', 'C', 'S']
# generated using pymatgen data_Hf2CS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38010319 _cell_length_b 3.38010319 _cell_length_c 12.07044400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998421 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_Hf2CS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38010319 _cell_length_b 3.38010319 _cell_length_c 12.07044400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,437
26,824
mp-20440
-0.171088
0
MnNi2Sn
0.011189
['Mn', 'Ni', 'Sn']
# generated using pymatgen data_MnNi2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27764954 _cell_length_b 4.27764954 _cell_length_c 4.27764954 _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_MnNi2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04950999 _cell_length_b 6.04950999 _cell_length_c 6.04950999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,438
32,743
mp-1224925
-0.302789
0
GaNi4Ge3
0.025823
['Ga', 'Ge', 'Ni']
# generated using pymatgen data_GaNi4Ge3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.12002569 _cell_length_b 6.12002569 _cell_length_c 4.88958111 _cell_angle_alpha 80.00141140 _cell_angle_beta 80.00141140 _cell_angle_gamma 36.36409547 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
8
8
# generated using pymatgen data_GaNi4Ge3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.62890399 _cell_length_b 3.81935200 _cell_length_c 4.88958111 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.52989787 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,439
24,209
mp-1218178
-2.662574
0
SrLaNiO4
0.006306
['La', 'Ni', 'O', 'Sr']
# generated using pymatgen data_SrLaNiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.85393193 _cell_length_b 6.85393193 _cell_length_c 5.45848100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 133.20190569 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
63
63
# generated using pymatgen data_SrLaNiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44384000 _cell_length_b 12.58054600 _cell_length_c 5.45848100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,440
36,620
mp-1183314
0.040351
0
Ba3Ca
0.040351
['Ba', 'Ca']
# generated using pymatgen data_Ba3Ca _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19181100 _cell_length_b 6.19181100 _cell_length_c 6.19181100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
221
221
# generated using pymatgen data_Ba3Ca _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19181100 _cell_length_b 6.19181100 _cell_length_c 6.19181100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
25,441
33,047
mp-1104630
-1.282407
0
RbV5S8
0.027822
['Rb', 'S', 'V']
# generated using pymatgen data_RbV5S8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29232500 _cell_length_b 8.54594060 _cell_length_c 9.04992224 _cell_angle_alpha 104.09384506 _cell_angle_beta 100.48033407 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_RbV5S8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 17.79789200 _cell_length_b 3.29232500 _cell_length_c 8.54594060 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.33802980 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,442
13,188
mp-1220968
-1.964251
0
NaNd2Se3
0
['Na', 'Nd', 'Se']
# generated using pymatgen data_NaNd2Se3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.37708686 _cell_length_b 7.37708686 _cell_length_c 7.37708686 _cell_angle_alpha 146.69392830 _cell_angle_beta 132.05619959 _cell_angle_gamma 59.62825320 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
71
71
# generated using pymatgen data_NaNd2Se3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22818200 _cell_length_b 5.99445200 _cell_length_c 12.80135400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,443
23,562
mp-1114431
-2.461846
5.115
Rb2LiTbCl6
0.005691
['Cl', 'Li', 'Rb', 'Tb']
# generated using pymatgen data_Rb2LiTbCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.42632674 _cell_length_b 7.42632674 _cell_length_c 7.42632674 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
225
225
# generated using pymatgen data_Rb2LiTbCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.50241199 _cell_length_b 10.50241199 _cell_length_c 10.50241199 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,444
40,114
mp-1184812
0.055542
0
InSn3
0.055542
['In', 'Sn']
# generated using pymatgen data_InSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.73422172 _cell_length_b 6.73422172 _cell_length_c 5.60608600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999722 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_InSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.73422172 _cell_length_b 6.73422172 _cell_length_c 5.60608600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,445
8,378
mp-568902
-0.549629
0
Yb(CoGe)2
0
['Co', 'Ge', 'Yb']
# generated using pymatgen data_Yb(CoGe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.84351660 _cell_length_b 5.84351660 _cell_length_c 5.84351660 _cell_angle_alpha 140.46999422 _cell_angle_beta 140.46999422 _cell_angle_gamma 57.14037004 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
139
139
# generated using pymatgen data_Yb(CoGe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95212400 _cell_length_b 3.95212400 _cell_length_c 10.26392599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,446
43,958
mp-8424
-2.214083
0
Li8PrO6
0.071575
['Li', 'O', 'Pr']
# generated using pymatgen data_Li8PrO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.51694497 _cell_length_b 6.51694497 _cell_length_c 6.51694484 _cell_angle_alpha 52.12642424 _cell_angle_beta 52.12642424 _cell_angle_gamma 52.12642181 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
148
148
# generated using pymatgen data_Li8PrO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72660209 _cell_length_b 5.72660209 _cell_length_c 16.84794423 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,447
18,582
mp-1106011
-0.062897
0
Nd3Co
0
['Co', 'Nd']
# generated using pymatgen data_Nd3Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40242100 _cell_length_b 7.09271500 _cell_length_c 9.87518700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
62
62
# generated using pymatgen data_Nd3Co _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40242100 _cell_length_b 7.09271500 _cell_length_c 9.87518700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
25,448
38,532
mp-10862
-0.489928
0
Ho2Ge6Pd
0.048249
['Ge', 'Ho', 'Pd']
# generated using pymatgen data_Ho2Ge6Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.19111390 _cell_length_b 11.19111390 _cell_length_c 4.09596600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 159.26058972 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
38
38
# generated using pymatgen data_Ho2Ge6Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02878000 _cell_length_b 22.01665399 _cell_length_c 4.09596600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,449
14,904
mp-582826
-0.192251
0
GdRuC2
0
['C', 'Gd', 'Ru']
# generated using pymatgen data_GdRuC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14161153 _cell_length_b 5.14161153 _cell_length_c 5.25034900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 129.62213550 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_GdRuC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37658600 _cell_length_b 9.30538400 _cell_length_c 5.25034900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,450
623
mp-989562
-2.714349
3.4749
Cs2LiTlF6
0
['Cs', 'Li', 'Tl', 'F']
# generated using pymatgen data_Cs2LiTlF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.31563311 _cell_length_b 6.31563311 _cell_length_c 6.31563311 _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_Cs2LiTlF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.93165400 _cell_length_b 8.93165400 _cell_length_c 8.93165400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,451
43,306
mp-31452
-0.307918
0
ZrNiBi
0.070902
['Zr', 'Ni', 'Bi']
# generated using pymatgen data_ZrNiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44903809 _cell_length_b 4.44903809 _cell_length_c 4.44903809 _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_ZrNiBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29189001 _cell_length_b 6.29189001 _cell_length_c 6.29189001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,452
19,173
mp-1212708
-2.514147
0
Gd2NiPtO6
0
['Gd', 'Ni', 'O', 'Pt']
# generated using pymatgen data_Gd2NiPtO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77176400 _cell_length_b 5.39663200 _cell_length_c 9.44205874 _cell_angle_alpha 55.30686171 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
14
14
# generated using pymatgen data_Gd2NiPtO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39663200 _cell_length_b 5.77176400 _cell_length_c 9.44205874 _cell_angle_alpha 90.00000000 _cell_angle_beta 124.69313829 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,453
37,982
mp-997029
-0.929685
0
TlCuO2
0.045173
['Cu', 'O', 'Tl']
# generated using pymatgen data_TlCuO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53702655 _cell_length_b 3.53702655 _cell_length_c 11.77167000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00001021 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_TlCuO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53702655 _cell_length_b 3.53702655 _cell_length_c 11.77167000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,454
42,098
mp-1174282
-2.025657
0.644
Li6Mn3CoO10
0.064882
['Co', 'Li', 'Mn', 'O']
# generated using pymatgen data_Li6Mn3CoO10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11117135 _cell_length_b 5.11117135 _cell_length_c 13.05684903 _cell_angle_alpha 78.19550460 _cell_angle_beta 78.19550460 _cell_angle_gamma 32.70665546 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
8
8
# generated using pymatgen data_Li6Mn3CoO10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.80878400 _cell_length_b 2.87820200 _cell_length_c 13.05684903 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.30983341 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,455
9,252
mp-20881
-1.044043
0
LaNiBN
0
['B', 'La', 'N', 'Ni']
# generated using pymatgen data_LaNiBN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77950100 _cell_length_b 3.77950100 _cell_length_c 7.30743300 _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_LaNiBN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.77950100 _cell_length_b 3.77950100 _cell_length_c 7.30743300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,456
10,592
mp-1185437
-0.28905
0
LiThHg2
0
['Hg', 'Li', 'Th']
# generated using pymatgen data_LiThHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17843146 _cell_length_b 5.17843146 _cell_length_c 5.17843146 _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_LiThHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.32340800 _cell_length_b 7.32340800 _cell_length_c 7.32340800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,457
29,536
mp-10878
-0.268379
0
Ca(MnAl2)4
0.018285
['Ca', 'Mn', 'Al']
# generated using pymatgen data_Ca(MnAl2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.72131587 _cell_length_b 6.72131587 _cell_length_c 6.72131587 _cell_angle_alpha 98.54951266 _cell_angle_beta 98.54951266 _cell_angle_gamma 134.64177032 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
139
139
# generated using pymatgen data_Ca(MnAl2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.77040799 _cell_length_b 8.77040799 _cell_length_c 5.18307200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,458
1,288
mp-20255
-0.517391
0
TiCuSi
0
['Ti', 'Cu', 'Si']
# generated using pymatgen data_TiCuSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72535200 _cell_length_b 6.21610700 _cell_length_c 7.17358900 _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_TiCuSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72535200 _cell_length_b 6.21610700 _cell_length_c 7.17358900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,459
43,853
mp-753645
-1.981153
0.4125
Li4Mn3(FeO5)2
0.072226
['Fe', 'Li', 'Mn', 'O']
# generated using pymatgen data_Li4Mn3(FeO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14828600 _cell_length_b 5.22075929 _cell_length_c 7.85706778 _cell_angle_alpha 71.35904616 _cell_angle_beta 71.43859644 _cell_angle_gamma 81.70015503 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
1
1
# generated using pymatgen data_Li4Mn3(FeO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14828600 _cell_length_b 5.22075929 _cell_length_c 7.85706778 _cell_angle_alpha 71.35904616 _cell_angle_beta 71.43859644 _cell_angle_gamma 81.70015503 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,460
6,791
mp-21104
-0.380145
0
Hf5Sn3
0
['Hf', 'Sn']
# generated using pymatgen data_Hf5Sn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.46581538 _cell_length_b 8.46581538 _cell_length_c 5.71618400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999513 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
193
193
# generated using pymatgen data_Hf5Sn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.46581538 _cell_length_b 8.46581538 _cell_length_c 5.71618400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,461
27,429
mp-764736
-2.751481
1.4876
V4O5F7
0.012544
['F', 'O', 'V']
# generated using pymatgen data_V4O5F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15835800 _cell_length_b 5.36457266 _cell_length_c 9.04357138 _cell_angle_alpha 73.45315865 _cell_angle_beta 74.21646566 _cell_angle_gamma 61.51871228 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
1
1
# generated using pymatgen data_V4O5F7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.15835800 _cell_length_b 5.36457266 _cell_length_c 9.04357138 _cell_angle_alpha 73.45315865 _cell_angle_beta 74.21646566 _cell_angle_gamma 61.51871228 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,462
38,436
mp-765544
-3.11729
2.2346
Li4V3OF11
0.046421
['F', 'Li', 'O', 'V']
# generated using pymatgen data_Li4V3OF11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59978691 _cell_length_b 6.42474462 _cell_length_c 6.20308057 _cell_angle_alpha 103.16998844 _cell_angle_beta 97.56357365 _cell_angle_gamma 101.03191242 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
1
1
# generated using pymatgen data_Li4V3OF11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59978691 _cell_length_b 6.20308057 _cell_length_c 6.42474462 _cell_angle_alpha 103.16998844 _cell_angle_beta 101.03191242 _cell_angle_gamma 97.56357365 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,463
8,838
mp-30495
-0.333122
0
SmCd2
0
['Sm', 'Cd']
# generated using pymatgen data_SmCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05036801 _cell_length_b 5.05036801 _cell_length_c 3.47654500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000015 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_SmCd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05036801 _cell_length_b 5.05036801 _cell_length_c 3.47654500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,464
7,761
mp-20979
-0.351086
0
TmMgIn
0
['Tm', 'Mg', 'In']
# generated using pymatgen data_TmMgIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45611388 _cell_length_b 7.45611388 _cell_length_c 4.66476800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999894 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
189
189
# generated using pymatgen data_TmMgIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45611388 _cell_length_b 7.45611388 _cell_length_c 4.66476800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,465
38,222
mp-1223274
-2.137032
0
La2Bi2S4OF
0.047132
['Bi', 'F', 'La', 'O', 'S']
# generated using pymatgen data_La2Bi2S4OF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10957700 _cell_length_b 4.10957700 _cell_length_c 13.15013600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
115
115
# generated using pymatgen data_La2Bi2S4OF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10957700 _cell_length_b 4.10957700 _cell_length_c 13.15013600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,466
15,722
mp-13156
-0.115113
0
HfAg
0
['Hf', 'Ag']
# generated using pymatgen data_HfAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44515500 _cell_length_b 3.44515500 _cell_length_c 6.65761500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf...
129
129
# generated using pymatgen data_HfAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44515500 _cell_length_b 3.44515500 _cell_length_c 6.65761500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf...
25,467
25,664
mp-1207392
-0.300633
0
Zr5Bi3
0.008827
['Bi', 'Zr']
# generated using pymatgen data_Zr5Bi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89637500 _cell_length_b 8.73227303 _cell_length_c 8.73227303 _cell_angle_alpha 119.99999267 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
193
193
# generated using pymatgen data_Zr5Bi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.73227303 _cell_length_b 8.73227303 _cell_length_c 5.89637500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,468
30,416
mp-755194
-2.543733
0
Er(ReO4)2
0.019056
['Er', 'O', 'Re']
# generated using pymatgen data_Er(ReO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05484064 _cell_length_b 6.05484064 _cell_length_c 6.27779300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000704 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
147
147
# generated using pymatgen data_Er(ReO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05484064 _cell_length_b 6.05484064 _cell_length_c 6.27779300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,469
39,565
mp-1106386
-0.312367
6.0083
BH6N
0.052978
['B', 'H', 'N']
# generated using pymatgen data_BH6N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50332700 _cell_length_b 4.51178600 _cell_length_c 4.70140693 _cell_angle_alpha 87.85803581 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BH...
4
4
# generated using pymatgen data_BH6N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51178600 _cell_length_b 5.50332700 _cell_length_c 4.70140693 _cell_angle_alpha 90.00000000 _cell_angle_beta 92.14196419 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BH...
25,470
36,531
mp-1094274
-0.028485
0
SrMg
0.040824
['Mg', 'Sr']
# generated using pymatgen data_SrMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.95458554 _cell_length_b 6.95458554 _cell_length_c 6.05041997 _cell_angle_alpha 68.87208339 _cell_angle_beta 68.87208339 _cell_angle_gamma 33.33339154 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr...
12
12
# generated using pymatgen data_SrMg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.32483799 _cell_length_b 3.98920200 _cell_length_c 6.05041997 _cell_angle_alpha 90.00000000 _cell_angle_beta 112.10209735 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,471
45,024
mp-1096767
0.068779
0
Fe11MoC4
0.07939
['C', 'Fe', 'Mo']
# generated using pymatgen data_Fe11MoC4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52682200 _cell_length_b 5.05055769 _cell_length_c 6.84420298 _cell_angle_alpha 89.60198068 _cell_angle_beta 89.96728444 _cell_angle_gamma 89.37895883 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
1
1
# generated using pymatgen data_Fe11MoC4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52682200 _cell_length_b 5.05055769 _cell_length_c 6.84420298 _cell_angle_alpha 89.60198068 _cell_angle_beta 89.96728444 _cell_angle_gamma 89.37895883 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,472
18,422
mp-742
-0.117664
0
Ti2Cu
0
['Ti', 'Cu']
# generated using pymatgen data_Ti2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76111501 _cell_length_b 5.76111501 _cell_length_c 5.76111501 _cell_angle_alpha 150.51135571 _cell_angle_beta 150.51135571 _cell_angle_gamma 42.19130300 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_Ti2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.93247800 _cell_length_b 2.93247800 _cell_length_c 10.75002001 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,473
25,866
mp-29246
-0.456394
1.3257
Cd2P3Cl
0.00883
['Cd', 'Cl', 'P']
# generated using pymatgen data_Cd2P3Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11639198 _cell_length_b 6.11639198 _cell_length_c 7.66724285 _cell_angle_alpha 83.07993756 _cell_angle_beta 83.07993756 _cell_angle_gamma 96.79401101 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
9
9
# generated using pymatgen data_Cd2P3Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.12214400 _cell_length_b 9.14722801 _cell_length_c 7.66724285 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.45492707 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,474
40,226
mp-1224419
-1.533253
0
HfNbN2
0.055113
['Hf', 'N', 'Nb']
# generated using pymatgen data_HfNbN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51998547 _cell_length_b 5.51998547 _cell_length_c 5.51998619 _cell_angle_alpha 33.46995128 _cell_angle_beta 33.46995128 _cell_angle_gamma 33.46994920 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_HfNbN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17890620 _cell_length_b 3.17890620 _cell_length_c 15.61780538 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,475
35,762
mp-1226470
-0.177901
0
CeYCo4
0.036601
['Ce', 'Co', 'Y']
# generated using pymatgen data_CeYCo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02053593 _cell_length_b 5.02053593 _cell_length_c 5.02053593 _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_CeYCo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.10011000 _cell_length_b 7.10011000 _cell_length_c 7.10011000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,476
13,072
mp-1104066
-0.248016
0
TbB12
0
['B', 'Tb']
# generated using pymatgen data_TbB12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30960684 _cell_length_b 5.30960684 _cell_length_c 5.30960684 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
225
225
# generated using pymatgen data_TbB12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50891800 _cell_length_b 7.50891800 _cell_length_c 7.50891800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
25,477
5,222
mp-12527
-1.083363
0
Ti2Te2P
0
['Ti', 'Te', 'P']
# generated using pymatgen data_Ti2Te2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.15733339 _cell_length_b 10.15733339 _cell_length_c 10.15733374 _cell_angle_alpha 20.73755553 _cell_angle_beta 20.73755553 _cell_angle_gamma 20.73755829 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
166
166
# generated using pymatgen data_Ti2Te2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65629758 _cell_length_b 3.65629758 _cell_length_c 29.80666497 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,478
2,950
mp-865257
-0.657117
0
DyZnRh2
0
['Dy', 'Zn', 'Rh']
# generated using pymatgen data_DyZnRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57337998 _cell_length_b 4.57337998 _cell_length_c 4.57337998 _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_DyZnRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46773599 _cell_length_b 6.46773599 _cell_length_c 6.46773599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,479
30,242
mp-1225283
-1.088599
0.6222
DyCuTe2
0.019152
['Cu', 'Dy', 'Te']
# generated using pymatgen data_DyCuTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35532323 _cell_length_b 4.35532300 _cell_length_c 6.93057400 _cell_angle_alpha 89.99675328 _cell_angle_beta 89.99675141 _cell_angle_gamma 60.00123518 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
156
156
# generated using pymatgen data_DyCuTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35532311 _cell_length_b 4.35532311 _cell_length_c 6.93057400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,480
18,766
mp-23860
-1.819354
4.0417
SrHCl
0
['Sr', 'H', 'Cl']
# generated using pymatgen data_SrHCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12792400 _cell_length_b 4.12792400 _cell_length_c 7.03732400 _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_SrHCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12792400 _cell_length_b 4.12792400 _cell_length_c 7.03732400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
25,481
22,045
mp-1103438
-0.568388
0
Dy2(NiB2)3
0.002455
['B', 'Dy', 'Ni']
# generated using pymatgen data_Dy2(NiB2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47193800 _cell_length_b 5.78104576 _cell_length_c 5.78104576 _cell_angle_alpha 96.75537609 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
65
65
# generated using pymatgen data_Dy2(NiB2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67974199 _cell_length_b 8.64311999 _cell_length_c 3.47193800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,482
4,003
mp-1014244
-1.04466
2.0033
ZrZnN2
0
['Zr', 'Zn', 'N']
# generated using pymatgen data_ZrZnN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31133145 _cell_length_b 3.31133145 _cell_length_c 5.33678000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998906 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
156
156
# generated using pymatgen data_ZrZnN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.31133145 _cell_length_b 3.31133145 _cell_length_c 5.33678000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,483
7,207
mp-13026
-0.926011
0
YbZnPt
0
['Pt', 'Yb', 'Zn']
# generated using pymatgen data_YbZnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18253400 _cell_length_b 7.09408900 _cell_length_c 7.92693700 _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_YbZnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18253400 _cell_length_b 7.09408900 _cell_length_c 7.92693700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,484
43,129
mp-1185916
0.006471
0
MgIn2
0.069677
['In', 'Mg']
# generated using pymatgen data_MgIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.59133703 _cell_length_b 8.59133703 _cell_length_c 5.59134700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 158.30348985 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_MgIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23392600 _cell_length_b 16.87560400 _cell_length_c 5.59134700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,485
18,981
mp-961673
-0.65089
1.1247
TiFeTe
0
['Ti', 'Fe', 'Te']
# generated using pymatgen data_TiFeTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16019911 _cell_length_b 4.16019911 _cell_length_c 4.16019911 _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_TiFeTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88341000 _cell_length_b 5.88341000 _cell_length_c 5.88341000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,486
2,353
mp-505727
-0.403424
1.9908
NClO
0
['Cl', 'N', 'O']
# generated using pymatgen data_NClO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23503200 _cell_length_b 5.49458600 _cell_length_c 11.52728600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
62
62
# generated using pymatgen data_NClO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23503200 _cell_length_b 5.49458600 _cell_length_c 11.52728600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
25,487
27,130
mp-1188515
-2.387083
0.1695
Ca2InOsO6
0.012122
['Ca', 'In', 'O', 'Os']
# generated using pymatgen data_Ca2InOsO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54342800 _cell_length_b 5.75755000 _cell_length_c 9.64876458 _cell_angle_alpha 90.00000000 _cell_angle_beta 124.49387250 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
14
14
# generated using pymatgen data_Ca2InOsO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54342800 _cell_length_b 5.75755000 _cell_length_c 9.64876458 _cell_angle_alpha 90.00000000 _cell_angle_beta 124.49387250 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,488
42,611
mp-1178496
-2.275433
2.7873
Bi6O5F8
0.067964
['Bi', 'F', 'O']
# generated using pymatgen data_Bi6O5F8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12601600 _cell_length_b 5.83756238 _cell_length_c 12.46637450 _cell_angle_alpha 87.91177413 _cell_angle_beta 87.68856022 _cell_angle_gamma 87.74904351 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
1
1
# generated using pymatgen data_Bi6O5F8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.12601600 _cell_length_b 5.83756238 _cell_length_c 12.46637450 _cell_angle_alpha 87.91177413 _cell_angle_beta 87.68856022 _cell_angle_gamma 87.74904351 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,489
2,470
mp-9564
-0.942102
1.2584
Ca(MgAs)2
0
['Ca', 'Mg', 'As']
# generated using pymatgen data_Ca(MgAs)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38133576 _cell_length_b 4.38133576 _cell_length_c 7.15060700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999636 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
164
164
# generated using pymatgen data_Ca(MgAs)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38133576 _cell_length_b 4.38133576 _cell_length_c 7.15060700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,490
18,134
mp-1189914
-0.747731
1.6859
ZnSi(AgS2)2
0
['Ag', 'S', 'Si', 'Zn']
# generated using pymatgen data_ZnSi(AgS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.62267200 _cell_length_b 6.46665000 _cell_length_c 10.24319719 _cell_angle_alpha 51.20365605 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
7
7
# generated using pymatgen data_ZnSi(AgS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46665000 _cell_length_b 6.62267200 _cell_length_c 10.24319719 _cell_angle_alpha 90.00000000 _cell_angle_beta 128.79634395 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
25,491
32,197
mp-1217474
0.025169
0
TbTh
0.025169
['Tb', 'Th']
# generated using pymatgen data_TbTh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17758699 _cell_length_b 6.17758699 _cell_length_c 6.17758746 _cell_angle_alpha 33.43681703 _cell_angle_beta 33.43681703 _cell_angle_gamma 33.43682489 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb...
166
166
# generated using pymatgen data_TbTh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55419166 _cell_length_b 3.55419166 _cell_length_c 17.48045806 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,492
28,913
mp-753408
-1.593594
1.6345
KLiCoO2
0.015908
['Co', 'K', 'Li', 'O']
# generated using pymatgen data_KLiCoO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71086211 _cell_length_b 5.71086211 _cell_length_c 8.36646467 _cell_angle_alpha 60.92859170 _cell_angle_beta 60.92859170 _cell_angle_gamma 34.51888808 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_KLiCoO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.90741600 _cell_length_b 3.38881400 _cell_length_c 8.36646467 _cell_angle_alpha 90.00000000 _cell_angle_beta 120.58462962 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,493
5,732
mp-1581
-1.629085
3.6301
As2O3
0
['As', 'O']
# generated using pymatgen data_As2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68540800 _cell_length_b 8.30977000 _cell_length_c 11.69823108 _cell_angle_alpha 56.30911471 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
14
14
# generated using pymatgen data_As2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.30977000 _cell_length_b 4.68540800 _cell_length_c 11.69823108 _cell_angle_alpha 90.00000000 _cell_angle_beta 123.69088529 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,494
20,293
mp-3218
-0.931308
0
Er(SiPd)2
0
['Er', 'Si', 'Pd']
# generated using pymatgen data_Er(SiPd)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.78158414 _cell_length_b 5.78158414 _cell_length_c 5.78158414 _cell_angle_alpha 138.11683776 _cell_angle_beta 138.11683776 _cell_angle_gamma 60.72410322 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
139
139
# generated using pymatgen data_Er(SiPd)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13286000 _cell_length_b 4.13286000 _cell_length_c 9.97726401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25,495
16,968
mp-866060
-0.315124
0
CaPrAg2
0
['Ag', 'Ca', 'Pr']
# generated using pymatgen data_CaPrAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29737389 _cell_length_b 5.29737389 _cell_length_c 5.29737389 _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_CaPrAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.49161800 _cell_length_b 7.49161800 _cell_length_c 7.49161800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,496
7,217
mp-14395
-2.610883
3.4773
NaAlAsO4F
0
['Al', 'As', 'F', 'Na', 'O']
# generated using pymatgen data_NaAlAsO4F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.45665292 _cell_length_b 5.45665292 _cell_length_c 7.14089443 _cell_angle_alpha 74.52590845 _cell_angle_beta 74.52590845 _cell_angle_gamma 104.34096123 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
15
15
# generated using pymatgen data_NaAlAsO4F _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.69328400 _cell_length_b 8.61975601 _cell_length_c 7.14089443 _cell_angle_alpha 90.00000000 _cell_angle_beta 115.78643380 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
25,497
20,737
mp-1228566
-2.672738
0
Ba2PrIrO6
0.000762
['Ba', 'Ir', 'O', 'Pr']
# generated using pymatgen data_Ba2PrIrO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09167000 _cell_length_b 6.10594671 _cell_length_c 8.61592079 _cell_angle_alpha 90.05338839 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
14
14
# generated using pymatgen data_Ba2PrIrO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.10594671 _cell_length_b 6.09167000 _cell_length_c 10.55550260 _cell_angle_alpha 90.00000000 _cell_angle_beta 125.28896502 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
25,498
13,337
mp-4829
-3.845326
6.5168
Na2ThF6
0
['F', 'Na', 'Th']
# generated using pymatgen data_Na2ThF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07842571 _cell_length_b 6.07842571 _cell_length_c 3.86901700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999688 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
150
150
# generated using pymatgen data_Na2ThF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07842571 _cell_length_b 6.07842571 _cell_length_c 3.86901700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
25,499
13,465
mp-867851
-0.276996
0
Rb2TlAu3
0
['Au', 'Rb', 'Tl']
# generated using pymatgen data_Rb2TlAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82730800 _cell_length_b 6.97191000 _cell_length_c 9.29227600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
51
51
# generated using pymatgen data_Rb2TlAu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.82730800 _cell_length_b 6.97191000 _cell_length_c 9.29227600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...