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
22,800
28,440
mp-766045
-2.448151
1.9237
PWO5
0.013771
['O', 'P', 'W']
# generated using pymatgen data_PWO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38643400 _cell_length_b 5.40826379 _cell_length_c 7.41760926 _cell_angle_alpha 107.10097578 _cell_angle_beta 107.56797166 _cell_angle_gamma 97.95235454 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
2
2
# generated using pymatgen data_PWO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.38643400 _cell_length_b 5.40826379 _cell_length_c 7.41760926 _cell_angle_alpha 107.10097578 _cell_angle_beta 107.56797166 _cell_angle_gamma 97.95235454 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,801
39,527
mp-10497
0.01901
2.4194
SrC2
0.052878
['Sr', 'C']
# generated using pymatgen data_SrC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17901144 _cell_length_b 4.17901144 _cell_length_c 7.89897176 _cell_angle_alpha 74.51461479 _cell_angle_beta 74.51461479 _cell_angle_gamma 64.01643718 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr...
15
15
# generated using pymatgen data_SrC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.08737000 _cell_length_b 4.43009400 _cell_length_c 7.89897176 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.35236807 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural S...
22,802
19,938
mp-865483
-0.291541
0
Li2GdIn
0
['Gd', 'In', 'Li']
# generated using pymatgen data_Li2GdIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87010603 _cell_length_b 4.87010603 _cell_length_c 4.87010603 _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_Li2GdIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.88737000 _cell_length_b 6.88737000 _cell_length_c 6.88737000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,803
6,229
mp-17174
-0.670518
0
K3(Cu4S3)2
0
['Cu', 'K', 'S']
# generated using pymatgen data_K3(Cu4S3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.87928576 _cell_length_b 8.87928576 _cell_length_c 9.87058633 _cell_angle_alpha 73.88714559 _cell_angle_beta 73.88714559 _cell_angle_gamma 25.08151136 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
12
12
# generated using pymatgen data_K3(Cu4S3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 17.33488401 _cell_length_b 3.85599000 _cell_length_c 9.87058633 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.51781184 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
22,804
24,815
mp-21175
-0.350502
0
TaGaNi2
0.006985
['Ta', 'Ga', 'Ni']
# generated using pymatgen data_TaGaNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22510020 _cell_length_b 4.22510020 _cell_length_c 4.22510020 _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_TaGaNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.97519401 _cell_length_b 5.97519401 _cell_length_c 5.97519401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,805
32,789
mp-1239189
-0.897153
0.1785
TaCr3(AgS4)2
0.026325
['Ag', 'Cr', 'S', 'Ta']
# generated using pymatgen data_TaCr3(AgS4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.01117900 _cell_length_b 5.99323900 _cell_length_c 6.51851803 _cell_angle_alpha 86.24108990 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
10
10
# generated using pymatgen data_TaCr3(AgS4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99323900 _cell_length_b 7.01117900 _cell_length_c 6.51851803 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.75891010 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
22,806
28,006
mp-1018806
-1.080902
0.839
MoSeS
0.013738
['Mo', 'S', 'Se']
# generated using pymatgen data_MoSeS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25635884 _cell_length_b 3.25635884 _cell_length_c 19.49090300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00883453 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
38
38
# generated using pymatgen data_MoSeS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.25592400 _cell_length_b 5.64042999 _cell_length_c 19.49090300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,807
9,952
mp-8658
-1.244441
2.0455
CsNaSe
0
['Cs', 'Na', 'Se']
# generated using pymatgen data_CsNaSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03830000 _cell_length_b 5.03830000 _cell_length_c 8.22974400 _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_CsNaSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03830000 _cell_length_b 5.03830000 _cell_length_c 8.22974400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,808
34,321
mp-1519864
-2.528311
0.7664
BaSrInSbO6
0.031487
['Ba', 'In', 'O', 'Sb', 'Sr']
# generated using pymatgen data_BaSrInSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88556378 _cell_length_b 5.88556378 _cell_length_c 5.88556378 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
216
216
# generated using pymatgen data_BaSrInSbO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.32344412 _cell_length_b 8.32344412 _cell_length_c 8.32344412 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
22,809
6,282
mp-27731
-0.597332
0
HfH2
0
['Hf', 'H']
# generated using pymatgen data_HfH2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26766262 _cell_length_b 3.26766262 _cell_length_c 3.26766262 _cell_angle_alpha 115.21819890 _cell_angle_beta 115.21819890 _cell_angle_gamma 98.50331646 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_HfH2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50092600 _cell_length_b 3.50092600 _cell_length_c 4.26585400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf...
22,810
22,949
mp-862656
-0.415662
0
ErAl3
0.003557
['Er', 'Al']
# generated using pymatgen data_ErAl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.47828542 _cell_length_b 12.47828542 _cell_length_c 12.47828454 _cell_angle_alpha 28.11047877 _cell_angle_beta 28.11047877 _cell_angle_gamma 28.11047751 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_ErAl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.06088402 _cell_length_b 6.06088402 _cell_length_c 35.93279076 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,811
27,592
mp-1184091
-0.573516
0
Er2CuAu
0.012933
['Au', 'Cu', 'Er']
# generated using pymatgen data_Er2CuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95614678 _cell_length_b 4.95614678 _cell_length_c 4.95614678 _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_Er2CuAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00904999 _cell_length_b 7.00904999 _cell_length_c 7.00904999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,812
41,516
mp-1076438
-2.661988
0
La2Co2O5
0.061149
['Co', 'La', 'O']
# generated using pymatgen data_La2Co2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.84891150 _cell_length_b 8.84891150 _cell_length_c 8.84891150 _cell_angle_alpha 143.92884857 _cell_angle_beta 141.65067560 _cell_angle_gamma 53.66332214 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
46
46
# generated using pymatgen data_La2Co2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.47937800 _cell_length_b 5.81283200 _cell_length_c 15.79241400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,813
36,782
mp-1247752
-0.789252
0
Cr3SnS8
0.040634
['Cr', 'S', 'Sn']
# generated using pymatgen data_Cr3SnS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.25928432 _cell_length_b 6.73292211 _cell_length_c 6.73887915 _cell_angle_alpha 60.18599911 _cell_angle_beta 62.47707527 _cell_angle_gamma 62.40412923 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_Cr3SnS8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.74387649 _cell_length_b 6.74387649 _cell_length_c 18.40259187 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,814
25,689
mp-1216008
-0.01121
0
YFe11Mo
0.009254
['Fe', 'Mo', 'Y']
# generated using pymatgen data_YFe11Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69396100 _cell_length_b 6.45070390 _cell_length_c 6.45070390 _cell_angle_alpha 97.89741854 _cell_angle_beta 111.33579117 _cell_angle_gamma 68.66420883 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
44
44
# generated using pymatgen data_YFe11Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69396100 _cell_length_b 8.47279800 _cell_length_c 8.52201600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,815
34,165
mp-1209854
-0.536461
0
Nd2Sn5
0.030725
['Nd', 'Sn']
# generated using pymatgen data_Nd2Sn5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 17.89697628 _cell_length_b 17.89697628 _cell_length_c 4.68411600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 165.05458964 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
65
65
# generated using pymatgen data_Nd2Sn5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65514200 _cell_length_b 35.48995200 _cell_length_c 4.68411600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,816
5,938
mp-862869
-1.761773
0
Pa2S3
0
['Pa', 'S']
# generated using pymatgen data_Pa2S3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.37516900 _cell_length_b 7.37516900 _cell_length_c 7.37516805 _cell_angle_alpha 55.09860301 _cell_angle_beta 55.09860301 _cell_angle_gamma 55.09860494 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
167
167
# generated using pymatgen data_Pa2S3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.82220367 _cell_length_b 6.82220367 _cell_length_c 18.70589837 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,817
21,669
mp-1211323
-0.924803
0
La2Si3Rh
0.001869
['La', 'Rh', 'Si']
# generated using pymatgen data_La2Si3Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.34744078 _cell_length_b 8.34744078 _cell_length_c 4.31663200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000620 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
191
191
# generated using pymatgen data_La2Si3Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.34744078 _cell_length_b 8.34744078 _cell_length_c 4.31663200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,818
2,287
mp-22048
-1.119775
0
Pt2PbO4
0
['O', 'Pb', 'Pt']
# generated using pymatgen data_Pt2PbO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74331633 _cell_length_b 6.22796698 _cell_length_c 6.77100812 _cell_angle_alpha 115.82980958 _cell_angle_beta 96.63218414 _cell_angle_gamma 109.58396279 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
2
2
# generated using pymatgen data_Pt2PbO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74331633 _cell_length_b 6.22796698 _cell_length_c 6.92008433 _cell_angle_alpha 61.72715360 _cell_angle_beta 65.50140807 _cell_angle_gamma 70.41603721 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,819
41,120
mp-1183271
0.060027
0
Ac3Eu
0.060027
['Ac', 'Eu']
# generated using pymatgen data_Ac3Eu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.15556571 _cell_length_b 8.15556571 _cell_length_c 6.55359000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999762 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_Ac3Eu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.15556571 _cell_length_b 8.15556571 _cell_length_c 6.55359000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,820
31,671
mp-1216258
-0.034068
0
Y2Fe17C
0.024218
['C', 'Fe', 'Y']
# generated using pymatgen data_Y2Fe17C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45338657 _cell_length_b 6.45338657 _cell_length_c 6.43247969 _cell_angle_alpha 83.07215197 _cell_angle_beta 83.07215197 _cell_angle_gamma 83.46690205 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_Y2Fe17C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.63167524 _cell_length_b 8.59160200 _cell_length_c 6.43247969 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.30175407 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,821
15,434
mp-862824
-0.782213
0
PaInPt2
0
['Pa', 'In', 'Pt']
# generated using pymatgen data_PaInPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87195441 _cell_length_b 4.87195441 _cell_length_c 4.87195441 _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_PaInPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.88998400 _cell_length_b 6.88998400 _cell_length_c 6.88998400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,822
12,977
mp-9595
-2.624674
3.0647
NbInO4
0
['Nb', 'In', 'O']
# generated using pymatgen data_NbInO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89693400 _cell_length_b 4.92079300 _cell_length_c 5.22350546 _cell_angle_alpha 89.09648139 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
13
13
# generated using pymatgen data_NbInO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92079300 _cell_length_b 5.89693400 _cell_length_c 5.22350546 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.90351861 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,823
37,546
mp-1097885
-1.708498
2.0128
LiCoO2
0.043427
['Co', 'Li', 'O']
# generated using pymatgen data_LiCoO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81394161 _cell_length_b 5.84753541 _cell_length_c 5.82480419 _cell_angle_alpha 120.45493023 _cell_angle_beta 91.03751537 _cell_angle_gamma 59.37026190 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_LiCoO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.00582849 _cell_length_b 5.84753541 _cell_length_c 5.82922520 _cell_angle_alpha 90.00000000 _cell_angle_beta 125.41086660 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,824
12,512
mp-1029448
-0.536757
0
Li5OsN4
0
['Li', 'Os', 'N']
# generated using pymatgen data_Li5OsN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97183000 _cell_length_b 6.63032700 _cell_length_c 6.72486100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
59
59
# generated using pymatgen data_Li5OsN4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97183000 _cell_length_b 6.63032700 _cell_length_c 6.72486100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,825
32,577
mp-1114525
-1.671079
1.2945
Rb2InSbCl6
0.026839
['Cl', 'In', 'Rb', 'Sb']
# generated using pymatgen data_Rb2InSbCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.96070148 _cell_length_b 7.96070148 _cell_length_c 7.96070148 _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_Rb2InSbCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.25813200 _cell_length_b 11.25813200 _cell_length_c 11.25813200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
22,826
31,712
mp-1221887
-1.750961
0
Mn2CdO3
0.023411
['Cd', 'Mn', 'O']
# generated using pymatgen data_Mn2CdO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.64775805 _cell_length_b 5.63172703 _cell_length_c 5.64775804 _cell_angle_alpha 80.16748326 _cell_angle_beta 60.01918489 _cell_angle_gamma 99.83255881 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
71
71
# generated using pymatgen data_Mn2CdO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.23672924 _cell_length_b 4.61947988 _cell_length_c 9.78125820 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,827
21,948
mp-862940
-0.798225
0
Er2CuPt
0.001791
['Cu', 'Er', 'Pt']
# generated using pymatgen data_Er2CuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88096578 _cell_length_b 4.88096578 _cell_length_c 4.88096578 _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_Er2CuPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90272800 _cell_length_b 6.90272800 _cell_length_c 6.90272800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,828
5,681
mp-1214813
-3.08334
0
Ba2LuReO6
0
['Ba', 'Lu', 'O', 'Re']
# generated using pymatgen data_Ba2LuReO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92323551 _cell_length_b 5.92323551 _cell_length_c 5.92515694 _cell_angle_alpha 60.01223716 _cell_angle_beta 60.01223716 _cell_angle_gamma 60.00427230 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
12
12
# generated using pymatgen data_Ba2LuReO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.25912401 _cell_length_b 5.92361800 _cell_length_c 5.92515694 _cell_angle_alpha 90.00000000 _cell_angle_beta 125.25027439 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
22,829
20,216
mp-16523
-0.851622
0
Al3Pd5
0.000254
['Al', 'Pd']
# generated using pymatgen data_Al3Pd5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07488000 _cell_length_b 5.44614300 _cell_length_c 10.65003400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
55
55
# generated using pymatgen data_Al3Pd5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07488000 _cell_length_b 5.44614300 _cell_length_c 10.65003400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,830
31,687
mp-1218170
-2.290975
0
SrLaTlCuO5
0.023577
['Cu', 'La', 'O', 'Sr', 'Tl']
# generated using pymatgen data_SrLaTlCuO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80831400 _cell_length_b 3.80831400 _cell_length_c 8.94021800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
99
99
# generated using pymatgen data_SrLaTlCuO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.80831400 _cell_length_b 3.80831400 _cell_length_c 8.94021800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
22,831
40,112
mp-1184343
-0.198917
0
Fe2NiB
0.055234
['B', 'Fe', 'Ni']
# generated using pymatgen data_Fe2NiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.37431749 _cell_length_b 6.37431749 _cell_length_c 6.37431749 _cell_angle_alpha 96.23032578 _cell_angle_beta 96.23032578 _cell_angle_gamma 141.53137632 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
82
82
# generated using pymatgen data_Fe2NiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.51144200 _cell_length_b 8.51144200 _cell_length_c 4.19981000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,832
11,336
mp-30838
-0.767126
0
ThPd
0
['Pd', 'Th']
# generated using pymatgen data_ThPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58962100 _cell_length_b 5.89789500 _cell_length_c 7.28961800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th...
62
62
# generated using pymatgen data_ThPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58962100 _cell_length_b 5.89789500 _cell_length_c 7.28961800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th...
22,833
35,443
mp-755798
-2.841214
2.6368
ZrPbO3
0.034587
['O', 'Pb', 'Zr']
# generated using pymatgen data_ZrPbO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88932500 _cell_length_b 5.92742000 _cell_length_c 8.35430900 _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_ZrPbO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88932500 _cell_length_b 5.92742000 _cell_length_c 8.35430900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,834
15,625
mp-1190071
-0.305704
0
Er6GaCo2
0
['Co', 'Er', 'Ga']
# generated using pymatgen data_Er6GaCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.23161407 _cell_length_b 8.23161407 _cell_length_c 8.23161407 _cell_angle_alpha 106.38451040 _cell_angle_beta 110.18560616 _cell_angle_gamma 111.89183021 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
71
71
# generated using pymatgen data_Er6GaCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.21900000 _cell_length_b 9.42106400 _cell_length_c 9.86364400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,835
36,003
mp-1018033
-0.876551
0.5085
AgRhO2
0.037665
['Ag', 'Rh', 'O']
# generated using pymatgen data_AgRhO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.58407022 _cell_length_b 6.58407022 _cell_length_c 6.58407100 _cell_angle_alpha 27.39746964 _cell_angle_beta 27.39746964 _cell_angle_gamma 27.39747439 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_AgRhO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11843583 _cell_length_b 3.11843583 _cell_length_c 18.99936662 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,836
34,434
mp-756519
-2.124601
0
Li(ReO3)4
0.031778
['Li', 'O', 'Re']
# generated using pymatgen data_Li(ReO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.49665943 _cell_length_b 6.49665943 _cell_length_c 6.49665943 _cell_angle_alpha 109.82835399 _cell_angle_beta 109.57622050 _cell_angle_gamma 109.01016818 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
71
71
# generated using pymatgen data_Li(ReO3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.46859600 _cell_length_b 7.49197200 _cell_length_c 7.54432000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,837
40,975
mp-9544
-0.270531
0
Er2C3
0.057714
['C', 'Er']
# generated using pymatgen data_Er2C3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.05209163 _cell_length_b 7.05209163 _cell_length_c 7.05209163 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
220
220
# generated using pymatgen data_Er2C3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.14305400 _cell_length_b 8.14305400 _cell_length_c 8.14305400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural E...
22,838
22,666
mp-1218378
-1.586501
1.8938
Sr4BrN2Cl
0.004144
['Br', 'Cl', 'N', 'Sr']
# generated using pymatgen data_Sr4BrN2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.93821000 _cell_length_b 6.81993800 _cell_length_c 7.61064966 _cell_angle_alpha 72.61090836 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
10
10
# generated using pymatgen data_Sr4BrN2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81993800 _cell_length_b 3.93821000 _cell_length_c 7.61064966 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.38909164 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
22,839
29,540
mp-1094472
0.012406
0
MgZr3
0.017773
['Mg', 'Zr']
# generated using pymatgen data_MgZr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53181921 _cell_length_b 5.53181921 _cell_length_c 5.53181921 _cell_angle_alpha 132.52407614 _cell_angle_beta 132.52407614 _cell_angle_gamma 69.40255443 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_MgZr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45371600 _cell_length_b 4.45371600 _cell_length_c 9.09576400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...
22,840
7,896
mp-650
-0.315342
0
Be5Pd
0
['Be', 'Pd']
# generated using pymatgen data_Be5Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23742931 _cell_length_b 4.23742931 _cell_length_c 4.23742931 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
216
216
# generated using pymatgen data_Be5Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.99263000 _cell_length_b 5.99263000 _cell_length_c 5.99263000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural B...
22,841
3,034
mp-1079103
-0.826768
0
LaCuSb2
0
['Cu', 'La', 'Sb']
# generated using pymatgen data_LaCuSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38858000 _cell_length_b 4.38858000 _cell_length_c 10.34096500 _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_LaCuSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38858000 _cell_length_b 4.38858000 _cell_length_c 10.34096500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,842
31,744
mp-1225818
-0.253656
0
DyGaFeCo3
0.02282
['Co', 'Dy', 'Fe', 'Ga']
# generated using pymatgen data_DyGaFeCo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00916000 _cell_length_b 4.91794900 _cell_length_c 5.02580636 _cell_angle_alpha 61.42217008 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
10
10
# generated using pymatgen data_DyGaFeCo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91794900 _cell_length_b 4.00916000 _cell_length_c 5.02580636 _cell_angle_alpha 90.00000000 _cell_angle_beta 118.57782992 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
22,843
17,672
mp-1212821
-0.610351
0
Er4Ga12Pt
0
['Er', 'Ga', 'Pt']
# generated using pymatgen data_Er4Ga12Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.45870268 _cell_length_b 7.45870268 _cell_length_c 7.45870268 _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_Er4Ga12Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.61256800 _cell_length_b 8.61256800 _cell_length_c 8.61256800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,844
19,875
mp-635426
-0.828804
0
GdAu
0
['Au', 'Gd']
# generated using pymatgen data_GdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65089200 _cell_length_b 3.65089200 _cell_length_c 3.65089200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd...
221
221
# generated using pymatgen data_GdAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65089200 _cell_length_b 3.65089200 _cell_length_c 3.65089200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Gd...
22,845
4,963
mp-865753
-0.897756
0
YbErPd2
0
['Yb', 'Er', 'Pd']
# generated using pymatgen data_YbErPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90367522 _cell_length_b 4.90367522 _cell_length_c 4.90367522 _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_YbErPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93484400 _cell_length_b 6.93484400 _cell_length_c 6.93484400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,846
11,156
mp-1208316
-0.911338
0
TbGePd2
0
['Ge', 'Pd', 'Tb']
# generated using pymatgen data_TbGePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63518500 _cell_length_b 7.11984200 _cell_length_c 7.46478200 _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_TbGePd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.63518500 _cell_length_b 7.11984200 _cell_length_c 7.46478200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,847
38,347
mp-3807
-1.034745
1.7425
Al2CdSe4
0.046046
['Al', 'Cd', 'Se']
# generated using pymatgen data_Al2CdSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.75730504 _cell_length_b 7.75730504 _cell_length_c 7.75730504 _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_Al2CdSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.97048600 _cell_length_b 10.97048600 _cell_length_c 10.97048600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
22,848
39,899
mp-754286
-2.087652
0.6745
Co3OF5
0.05217
['Co', 'F', 'O']
# generated using pymatgen data_Co3OF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67268700 _cell_length_b 5.70857747 _cell_length_c 7.52107598 _cell_angle_alpha 71.89066929 _cell_angle_beta 71.55612191 _cell_angle_gamma 70.37802197 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
2
2
# generated using pymatgen data_Co3OF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67268700 _cell_length_b 5.70857747 _cell_length_c 7.52107598 _cell_angle_alpha 71.89066929 _cell_angle_beta 71.55612191 _cell_angle_gamma 70.37802197 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,849
4,004
mp-1017567
-1.996268
1.0769
Hf2SN2
0
['Hf', 'N', 'S']
# generated using pymatgen data_Hf2SN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59001012 _cell_length_b 3.59001012 _cell_length_c 6.42489400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000224 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_Hf2SN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59001012 _cell_length_b 3.59001012 _cell_length_c 6.42489400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,850
30,869
mp-616481
-0.536504
0
NbFeTe2
0.020328
['Fe', 'Nb', 'Te']
# generated using pymatgen data_NbFeTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32666400 _cell_length_b 7.52804300 _cell_length_c 8.12422100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
53
53
# generated using pymatgen data_NbFeTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32666400 _cell_length_b 7.52804300 _cell_length_c 8.12422100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,851
5,483
mp-8972
-1.188994
2.0545
K2TaCuSe4
0
['Cu', 'K', 'Se', 'Ta']
# generated using pymatgen data_K2TaCuSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.03645240 _cell_length_b 12.55419607 _cell_length_c 7.48871514 _cell_angle_alpha 84.91470317 _cell_angle_beta 62.98391137 _cell_angle_gamma 32.10138546 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
70
70
# generated using pymatgen data_K2TaCuSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.77350800 _cell_length_b 13.81991400 _cell_length_c 24.43558800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
22,852
6,679
mp-1212407
-0.173121
0
HfBi
0
['Bi', 'Hf']
# generated using pymatgen data_HfBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.76893677 _cell_length_b 5.76893677 _cell_length_c 14.35201100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 141.07879347 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_HfBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.84394200 _cell_length_b 10.87872399 _cell_length_c 14.35201100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,853
12,480
mp-9586
-1.108898
0
NbSnS2
0
['Nb', 'Sn', 'S']
# generated using pymatgen data_NbSnS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35743028 _cell_length_b 3.35743028 _cell_length_c 17.58302900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000561 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_NbSnS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.35743028 _cell_length_b 3.35743028 _cell_length_c 17.58302900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,854
6,195
mp-1223512
-3.329463
0
KMg3AlSi3(O5F)2
0
['Al', 'F', 'K', 'Mg', 'O', 'Si']
# generated using pymatgen data_KMg3AlSi3(O5F)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36457500 _cell_length_b 5.36400826 _cell_length_c 10.36830850 _cell_angle_alpha 85.27290350 _cell_angle_beta 99.92957531 _cell_angle_gamma 119.96465557 _symmetry_Int_Tables_number 1 _chemical_formula_st...
1
1
# generated using pymatgen data_KMg3AlSi3(O5F)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36457500 _cell_length_b 5.36400826 _cell_length_c 10.36830850 _cell_angle_alpha 85.27290350 _cell_angle_beta 99.92957531 _cell_angle_gamma 119.96465557 _symmetry_Int_Tables_number 1 _chemical_formula_st...
22,855
10,406
mp-615682
-2.777732
0
Ba2LaTa(CuO4)2
0
['Ba', 'Cu', 'La', 'O', 'Ta']
# generated using pymatgen data_Ba2LaTa(CuO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99960100 _cell_length_b 3.99960100 _cell_length_c 12.23232600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_stru...
123
123
# generated using pymatgen data_Ba2LaTa(CuO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99960100 _cell_length_b 3.99960100 _cell_length_c 12.23232600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_stru...
22,856
14,478
mp-976955
-2.597804
0.0478
Li2RuF6
0
['F', 'Li', 'Ru']
# generated using pymatgen data_Li2RuF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71893700 _cell_length_b 4.71893700 _cell_length_c 9.29712500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
136
136
# generated using pymatgen data_Li2RuF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71893700 _cell_length_b 4.71893700 _cell_length_c 9.29712500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,857
26,813
mp-1521910
-3.093694
0
SrEuNbVO6
0.010711
['Eu', 'Nb', 'O', 'Sr', 'V']
# generated using pymatgen data_SrEuNbVO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.67592072 _cell_length_b 5.67592072 _cell_length_c 5.67592072 _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_SrEuNbVO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.02696406 _cell_length_b 8.02696406 _cell_length_c 8.02696406 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,858
12,389
mp-6528
-3.413595
6.7438
Cs2NaAlF6
0
['Al', 'Cs', 'F', 'Na']
# generated using pymatgen data_Cs2NaAlF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.75842515 _cell_length_b 10.75842515 _cell_length_c 10.75842512 _cell_angle_alpha 33.92177672 _cell_angle_beta 33.92177672 _cell_angle_gamma 33.92177364 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
166
166
# generated using pymatgen data_Cs2NaAlF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.27687027 _cell_length_b 6.27687027 _cell_length_c 30.38907861 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
22,859
9,735
mp-14447
-1.724804
2.2784
Ba2SiSe4
0
['Ba', 'Se', 'Si']
# generated using pymatgen data_Ba2SiSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.12572800 _cell_length_b 7.07032900 _cell_length_c 9.30405178 _cell_angle_alpha 71.59136806 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
11
11
# generated using pymatgen data_Ba2SiSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07032900 _cell_length_b 7.12572800 _cell_length_c 9.30405178 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.40863194 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,860
37,436
mp-761288
-2.384671
0
MnBO3
0.041916
['B', 'Mn', 'O']
# generated using pymatgen data_MnBO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66533687 _cell_length_b 5.66534183 _cell_length_c 5.66533696 _cell_angle_alpha 48.97987158 _cell_angle_beta 48.97983222 _cell_angle_gamma 48.97986325 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...
167
167
# generated using pymatgen data_MnBO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69694439 _cell_length_b 4.69694439 _cell_length_c 14.92249099 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,861
32,524
mp-1077033
-1.521368
0
YbSe2
0.026479
['Se', 'Yb']
# generated using pymatgen data_YbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99300600 _cell_length_b 3.99300600 _cell_length_c 8.82319900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y...
129
129
# generated using pymatgen data_YbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99300600 _cell_length_b 3.99300600 _cell_length_c 8.82319900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y...
22,862
11,876
mp-568021
-0.431744
0.0841
Er3AlC
0
['Al', 'C', 'Er']
# generated using pymatgen data_Er3AlC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82897300 _cell_length_b 4.82897300 _cell_length_c 4.82897300 _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_Er3AlC _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82897300 _cell_length_b 4.82897300 _cell_length_c 4.82897300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,863
33,473
mp-976330
-0.474546
0
LiZr2Ir
0.027366
['Li', 'Zr', 'Ir']
# generated using pymatgen data_LiZr2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67905992 _cell_length_b 4.67905992 _cell_length_c 4.67905992 _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_LiZr2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.61719000 _cell_length_b 6.61719000 _cell_length_c 6.61719000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,864
7,805
mp-27775
-2.552848
1.4173
U(BiO3)2
0
['Bi', 'O', 'U']
# generated using pymatgen data_U(BiO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92658221 _cell_length_b 3.92658221 _cell_length_c 9.55756400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000347 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
164
164
# generated using pymatgen data_U(BiO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92658221 _cell_length_b 3.92658221 _cell_length_c 9.55756400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,865
17,859
mp-556239
-1.672366
1.8649
Cs5Nb2S4Br9
0
['Br', 'Cs', 'Nb', 'S']
# generated using pymatgen data_Cs5Nb2S4Br9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.88893862 _cell_length_b 10.88893862 _cell_length_c 10.88893862 _cell_angle_alpha 138.49124867 _cell_angle_beta 117.88147512 _cell_angle_gamma 77.49654095 _symmetry_Int_Tables_number 1 _chemical_formula_str...
71
71
# generated using pymatgen data_Cs5Nb2S4Br9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.71726200 _cell_length_b 11.23573800 _cell_length_c 16.98464000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
22,866
476
mp-1024990
-0.689379
0
LuB2Ir3
0
['Lu', 'B', 'Ir']
# generated using pymatgen data_LuB2Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44026998 _cell_length_b 5.44026998 _cell_length_c 3.14534900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999975 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_LuB2Ir3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44026998 _cell_length_b 5.44026998 _cell_length_c 3.14534900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,867
43,700
mp-1220488
-0.584236
0
Nb6BiTe8
0.071882
['Bi', 'Nb', 'Te']
# generated using pymatgen data_Nb6BiTe8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.81492407 _cell_length_b 10.81492407 _cell_length_c 3.62747900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000040 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
147
147
# generated using pymatgen data_Nb6BiTe8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.81492407 _cell_length_b 10.81492407 _cell_length_c 3.62747900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
22,868
40,036
mp-1094425
0.001715
0
Mg5Zn
0.055489
['Mg', 'Zn']
# generated using pymatgen data_Mg5Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19925421 _cell_length_b 6.19925421 _cell_length_c 6.19925327 _cell_angle_alpha 50.18567208 _cell_angle_beta 50.18567208 _cell_angle_gamma 50.18566985 _symmetry_Int_Tables_number 1 _chemical_formula_structural M...
155
155
# generated using pymatgen data_Mg5Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25803591 _cell_length_b 5.25803591 _cell_length_c 16.21529882 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,869
26,414
mp-753923
-2.204418
2.1913
Cs3HoO3
0.010297
['Cs', 'Ho', 'O']
# generated using pymatgen data_Cs3HoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.61533411 _cell_length_b 7.61533411 _cell_length_c 7.61881883 _cell_angle_alpha 84.03041169 _cell_angle_beta 84.03041169 _cell_angle_gamma 115.87092705 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_Cs3HoO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.08556800 _cell_length_b 12.90724000 _cell_length_c 7.61881883 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.29755995 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,870
10,048
mp-1097
-0.812874
0
TaB
0
['Ta', 'B']
# generated using pymatgen data_TaB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65980798 _cell_length_b 4.65980798 _cell_length_c 3.17194000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 138.59634323 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta...
63
63
# generated using pymatgen data_TaB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.29452800 _cell_length_b 8.71787399 _cell_length_c 3.17194000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaB...
22,871
27,583
mp-1183232
-0.421434
0
AlNi3
0.012662
['Al', 'Ni']
# generated using pymatgen data_AlNi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05937588 _cell_length_b 5.05937588 _cell_length_c 4.06015400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999838 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_AlNi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05937588 _cell_length_b 5.05937588 _cell_length_c 4.06015400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,872
44,563
mp-1080162
-0.92079
0
Te2Mo3W(SeS2)2
0.076766
['Mo', 'S', 'Se', 'Te', 'W']
# generated using pymatgen data_Te2Mo3W(SeS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30723789 _cell_length_b 3.30723789 _cell_length_c 37.59379600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999785 _symmetry_Int_Tables_number 1 _chemical_formula_str...
156
156
# generated using pymatgen data_Te2Mo3W(SeS2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30723789 _cell_length_b 3.30723789 _cell_length_c 37.59379600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_str...
22,873
31,482
mp-980938
-0.314474
0
Tb3Al2
0.021314
['Al', 'Tb']
# generated using pymatgen data_Tb3Al2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.28120800 _cell_length_b 8.28120800 _cell_length_c 7.60762000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
136
136
# generated using pymatgen data_Tb3Al2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.28120800 _cell_length_b 8.28120800 _cell_length_c 7.60762000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,874
483
mp-1095508
-2.350704
0
Er5S7
0
['Er', 'S']
# generated using pymatgen data_Er5S7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.62900716 _cell_length_b 6.62900716 _cell_length_c 11.52492154 _cell_angle_alpha 75.95103925 _cell_angle_beta 75.95103925 _cell_angle_gamma 33.06870032 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_Er5S7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.70978600 _cell_length_b 3.77310000 _cell_length_c 11.52492154 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.66824717 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,875
11,920
mp-7332
-0.534828
0.0633
NdP5
0
['Nd', 'P']
# generated using pymatgen data_NdP5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.59853000 _cell_length_b 5.05461300 _cell_length_c 5.46987825 _cell_angle_alpha 77.96100256 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd...
11
11
# generated using pymatgen data_NdP5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05461300 _cell_length_b 9.59853000 _cell_length_c 5.46987825 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.03899744 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural N...
22,876
36,299
mp-1802
-1.309982
0
NbS2
0.039191
['Nb', 'S']
# generated using pymatgen data_NbS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.95318289 _cell_length_b 6.95318289 _cell_length_c 6.95318306 _cell_angle_alpha 28.13664149 _cell_angle_beta 28.13664149 _cell_angle_gamma 28.13664432 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb...
166
166
# generated using pymatgen data_NbS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.38034185 _cell_length_b 3.38034185 _cell_length_c 20.02100511 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,877
8,172
mp-1219591
-2.458162
0.964
RbCoNiF6
0
['Co', 'F', 'Ni', 'Rb']
# generated using pymatgen data_RbCoNiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.28835659 _cell_length_b 7.28835659 _cell_length_c 7.28835659 _cell_angle_alpha 119.87829431 _cell_angle_beta 119.20668110 _cell_angle_gamma 90.79524870 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
74
74
# generated using pymatgen data_RbCoNiF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.30176000 _cell_length_b 7.37557600 _cell_length_c 10.23551400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,878
29,810
mp-1239197
-0.906013
0.044
TaCr3(AgS4)2
0.017465
['Ag', 'Cr', 'S', 'Ta']
# generated using pymatgen data_TaCr3(AgS4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96735600 _cell_length_b 6.01682300 _cell_length_c 6.50758283 _cell_angle_alpha 88.94563233 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
10
10
# generated using pymatgen data_TaCr3(AgS4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01682300 _cell_length_b 6.96735600 _cell_length_c 6.50758283 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.05436767 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
22,879
414
mp-11705
-0.671295
0
Dy2Fe2Si2C
0
['Dy', 'Fe', 'Si', 'C']
# generated using pymatgen data_Dy2Fe2Si2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.62642196 _cell_length_b 5.62642196 _cell_length_c 6.72257532 _cell_angle_alpha 53.47164392 _cell_angle_beta 53.47164392 _cell_angle_gamma 40.80175094 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
12
12
# generated using pymatgen data_Dy2Fe2Si2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.54702800 _cell_length_b 3.92258800 _cell_length_c 6.72257532 _cell_angle_alpha 90.00000000 _cell_angle_beta 129.42393064 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
22,880
8,795
mp-22440
-1.118638
0
LuSiIr
0
['Lu', 'Si', 'Ir']
# generated using pymatgen data_LuSiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17505100 _cell_length_b 6.71123700 _cell_length_c 7.42335900 _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_LuSiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17505100 _cell_length_b 6.71123700 _cell_length_c 7.42335900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,881
2,842
mp-510548
-0.634012
0
Y4Ga12Pt
0
['Ga', 'Pt', 'Y']
# generated using pymatgen data_Y4Ga12Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50416555 _cell_length_b 7.50416555 _cell_length_c 7.50416555 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
229
229
# generated using pymatgen data_Y4Ga12Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.66506400 _cell_length_b 8.66506400 _cell_length_c 8.66506400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,882
9,118
mp-1188992
-0.740271
0
Sm5Ge3
0
['Ge', 'Sm']
# generated using pymatgen data_Sm5Ge3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.74665600 _cell_length_b 8.74665661 _cell_length_c 6.60935900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999769 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
193
193
# generated using pymatgen data_Sm5Ge3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.74665631 _cell_length_b 8.74665631 _cell_length_c 6.60935900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,883
18,869
mp-569302
-0.876944
0
Gd(SiRu)2
0
['Gd', 'Ru', 'Si']
# generated using pymatgen data_Gd(SiRu)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66257321 _cell_length_b 5.66257321 _cell_length_c 5.66257321 _cell_angle_alpha 136.50480672 _cell_angle_beta 136.50480672 _cell_angle_gamma 63.20085421 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
139
139
# generated using pymatgen data_Gd(SiRu)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19617600 _cell_length_b 4.19617600 _cell_length_c 9.64588800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
22,884
12,060
mp-1102395
-0.624785
0.9258
SbRuSe
0
['Ru', 'Sb', 'Se']
# generated using pymatgen data_SbRuSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.36899500 _cell_length_b 6.43342277 _cell_length_c 6.47253028 _cell_angle_alpha 113.02711866 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
14
14
# generated using pymatgen data_SbRuSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.43342277 _cell_length_b 6.36899500 _cell_length_c 6.47253028 _cell_angle_alpha 90.00000000 _cell_angle_beta 113.02711866 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,885
26,253
mp-1226540
-0.557245
0
CeUB8
0.010638
['B', 'Ce', 'U']
# generated using pymatgen data_CeUB8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.10838723 _cell_length_b 7.10838723 _cell_length_c 4.01070400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.70013061 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
65
65
# generated using pymatgen data_CeUB8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.99117000 _cell_length_b 10.11400999 _cell_length_c 4.01070400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,886
5,947
mp-865011
-0.256541
0
Mn2NbAl
0
['Mn', 'Nb', 'Al']
# generated using pymatgen data_Mn2NbAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25531063 _cell_length_b 4.25531063 _cell_length_c 4.25531063 _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_Mn2NbAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.01791801 _cell_length_b 6.01791801 _cell_length_c 6.01791801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,887
33,476
mp-977557
-0.641736
0
NdCdPd2
0.027539
['Cd', 'Nd', 'Pd']
# generated using pymatgen data_NdCdPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90850193 _cell_length_b 4.90850193 _cell_length_c 4.90850193 _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_NdCdPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94167000 _cell_length_b 6.94167000 _cell_length_c 6.94167000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,888
4,117
mp-1187606
-0.296939
0
TmLuCu2
0
['Cu', 'Lu', 'Tm']
# generated using pymatgen data_TmLuCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80984922 _cell_length_b 4.80984922 _cell_length_c 4.80984922 _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_TmLuCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.80215400 _cell_length_b 6.80215400 _cell_length_c 6.80215400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,889
32,418
mp-754228
-1.78598
0
Li4Ni3SbO8
0.024267
['Li', 'Ni', 'O', 'Sb']
# generated using pymatgen data_Li4Ni3SbO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98462998 _cell_length_b 5.98462998 _cell_length_c 5.98463033 _cell_angle_alpha 59.97152309 _cell_angle_beta 59.97152309 _cell_angle_gamma 59.97152488 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
166
166
# generated using pymatgen data_Li4Ni3SbO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98205401 _cell_length_b 5.98205401 _cell_length_c 14.66244406 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
22,890
31,944
mp-850979
-2.706094
1.0194
V3(O2F)2
0.022687
['F', 'O', 'V']
# generated using pymatgen data_V3(O2F)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72063024 _cell_length_b 4.72063024 _cell_length_c 9.14123090 _cell_angle_alpha 89.91690612 _cell_angle_beta 89.91690612 _cell_angle_gamma 85.75588480 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_V3(O2F)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.91860201 _cell_length_b 6.42420001 _cell_length_c 9.14123090 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.11339158 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,891
35,169
mp-1214615
-3.026395
0
Ba2Sm2Ti2Cu2O11
0.034169
['Ba', 'Cu', 'O', 'Sm', 'Ti']
# generated using pymatgen data_Ba2Sm2Ti2Cu2O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92194300 _cell_length_b 3.92194300 _cell_length_c 16.12893100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_str...
123
123
# generated using pymatgen data_Ba2Sm2Ti2Cu2O11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92194300 _cell_length_b 3.92194300 _cell_length_c 16.12893100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_str...
22,892
39,088
mp-1113449
-1.257566
0
Rb2TlAuBr6
0.049866
['Au', 'Br', 'Rb', 'Tl']
# generated using pymatgen data_Rb2TlAuBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.96291614 _cell_length_b 7.96291614 _cell_length_c 7.96291614 _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_Rb2TlAuBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.26126400 _cell_length_b 11.26126400 _cell_length_c 11.26126400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
22,893
6,133
mp-1188606
-1.055794
0
La5Pb3S
0
['La', 'Pb', 'S']
# generated using pymatgen data_La5Pb3S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.68669976 _cell_length_b 9.68669976 _cell_length_c 7.14751900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999835 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
193
193
# generated using pymatgen data_La5Pb3S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.68669976 _cell_length_b 9.68669976 _cell_length_c 7.14751900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,894
29,131
mp-1187430
-0.794055
0
Ti2IrRu
0.016314
['Ir', 'Ru', 'Ti']
# generated using pymatgen data_Ti2IrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38546353 _cell_length_b 4.38546353 _cell_length_c 4.38546353 _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_Ti2IrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.20198200 _cell_length_b 6.20198200 _cell_length_c 6.20198200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,895
28,879
mp-568572
-0.693818
0
WSe6ICl6
0.015818
['Cl', 'I', 'Se', 'W']
# generated using pymatgen data_WSe6ICl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90495800 _cell_length_b 7.81549839 _cell_length_c 8.42619154 _cell_angle_alpha 92.66872345 _cell_angle_beta 97.22040527 _cell_angle_gamma 96.92512084 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
2
2
# generated using pymatgen data_WSe6ICl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90495800 _cell_length_b 7.81549839 _cell_length_c 8.42619154 _cell_angle_alpha 92.66872345 _cell_angle_beta 97.22040527 _cell_angle_gamma 96.92512084 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,896
33,323
mp-2203
-0.399566
0
YB6
0.028523
['Y', 'B']
# generated using pymatgen data_YB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10210000 _cell_length_b 4.10210000 _cell_length_c 4.10210000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YB6...
221
221
# generated using pymatgen data_YB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10210000 _cell_length_b 4.10210000 _cell_length_c 4.10210000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YB6...
22,897
42,187
mp-1217527
-0.519935
0
TbGa3Ni
0.064191
['Ga', 'Ni', 'Tb']
# generated using pymatgen data_TbGa3Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05219700 _cell_length_b 4.05219700 _cell_length_c 6.06240301 _cell_angle_alpha 70.47567197 _cell_angle_beta 70.47567197 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
119
119
# generated using pymatgen data_TbGa3Ni _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05219700 _cell_length_b 4.05219700 _cell_length_c 10.68505200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,898
23,008
mp-1018693
-1.216465
0.0811
Eu2H3Cl
0.00493
['Cl', 'Eu', 'H']
# generated using pymatgen data_Eu2H3Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02604504 _cell_length_b 4.02604504 _cell_length_c 6.84540800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998416 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_Eu2H3Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.02604504 _cell_length_b 4.02604504 _cell_length_c 6.84540800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
22,899
24,459
mp-865103
-0.531192
0
DyGa3
0.006295
['Dy', 'Ga']
# generated using pymatgen data_DyGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26933889 _cell_length_b 6.26933889 _cell_length_c 4.58108100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000939 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_DyGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.26933889 _cell_length_b 6.26933889 _cell_length_c 4.58108100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...