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
26,400
1,956
mp-865906
-0.843727
0
YbPmPd2
0
['Pd', 'Pm', 'Yb']
# generated using pymatgen data_YbPmPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99891119 _cell_length_b 4.99891119 _cell_length_c 4.99891119 _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_YbPmPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.06952800 _cell_length_b 7.06952800 _cell_length_c 7.06952800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,401
9,337
mp-5280
-2.061546
1.8014
In2Ge2O7
0
['Ge', 'In', 'O']
# generated using pymatgen data_In2Ge2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61587928 _cell_length_b 5.61587928 _cell_length_c 5.00987122 _cell_angle_alpha 82.50043594 _cell_angle_beta 82.50043594 _cell_angle_gamma 105.97106263 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
12
12
# generated using pymatgen data_In2Ge2O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.76170600 _cell_length_b 8.96837400 _cell_length_c 5.00987122 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.52129045 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
26,402
34,004
mp-10228
-1.124741
0
NbSe2
0.031263
['Nb', 'Se']
# generated using pymatgen data_NbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48751114 _cell_length_b 3.48751114 _cell_length_c 6.73855000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998377 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_NbSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.48751114 _cell_length_b 3.48751114 _cell_length_c 6.73855000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,403
26,854
mp-31268
-1.333713
2.5722
AlBiBr6
0.011409
['Al', 'Bi', 'Br']
# generated using pymatgen data_AlBiBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.13529200 _cell_length_b 8.25714365 _cell_length_c 10.00004713 _cell_angle_alpha 102.23478772 _cell_angle_beta 105.65156446 _cell_angle_gamma 97.31510575 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
2
2
# generated using pymatgen data_AlBiBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.13529200 _cell_length_b 8.25714365 _cell_length_c 10.00004713 _cell_angle_alpha 102.23478772 _cell_angle_beta 105.65156446 _cell_angle_gamma 97.31510575 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
26,404
18,490
mp-983460
-0.277699
0.1635
Li2PmGa
0
['Ga', 'Li', 'Pm']
# generated using pymatgen data_Li2PmGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75899551 _cell_length_b 4.75899551 _cell_length_c 4.75899551 _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_Li2PmGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.73023599 _cell_length_b 6.73023599 _cell_length_c 6.73023599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,405
37,772
mp-1227344
-1.202199
2.7906
Be3ZnS4
0.044738
['Be', 'S', 'Zn']
# generated using pymatgen data_Be3ZnS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54765230 _cell_length_b 3.54765230 _cell_length_c 11.83368576 _cell_angle_alpha 90.00000000 _cell_angle_beta 81.37908080 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
160
160
# generated using pymatgen data_Be3ZnS4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54765230 _cell_length_b 3.54765230 _cell_length_c 34.96523355 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
26,406
22,046
mp-1103801
-3.334019
2.1158
Ba2U(PO5)2
0.002518
['Ba', 'O', 'P', 'U']
# generated using pymatgen data_Ba2U(PO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53334700 _cell_length_b 7.00171886 _cell_length_c 7.14410146 _cell_angle_alpha 101.47412284 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.27483770 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
12
12
# generated using pymatgen data_Ba2U(PO5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.86383799 _cell_length_b 5.53334700 _cell_length_c 7.14410146 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.50636188 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
26,407
6,411
mp-8127
-2.270604
4.0703
K2Mg(CO3)2
0
['C', 'K', 'Mg', 'O']
# generated using pymatgen data_K2Mg(CO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64587583 _cell_length_b 6.64587583 _cell_length_c 6.64587554 _cell_angle_alpha 46.18793635 _cell_angle_beta 46.18793635 _cell_angle_gamma 46.18793269 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
166
166
# generated using pymatgen data_K2Mg(CO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21356014 _cell_length_b 5.21356014 _cell_length_c 17.77541417 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
26,408
30,018
mp-1077018
-0.899606
0
Sm2Sb
0.019467
['Sb', 'Sm']
# generated using pymatgen data_Sm2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.31875946 _cell_length_b 9.31875946 _cell_length_c 9.31875946 _cell_angle_alpha 151.88431545 _cell_angle_beta 151.88431545 _cell_angle_gamma 40.18226443 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_Sm2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52707800 _cell_length_b 4.52707800 _cell_length_c 17.50337799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,409
17,145
mp-1206265
-1.244762
0
LaSiI
0
['I', 'La', 'Si']
# generated using pymatgen data_LaSiI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21611775 _cell_length_b 4.21611775 _cell_length_c 12.16475800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999601 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
164
164
# generated using pymatgen data_LaSiI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21611775 _cell_length_b 4.21611775 _cell_length_c 12.16475800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,410
29,863
mp-29979
-0.664915
0
Nb3B3C
0.017985
['B', 'C', 'Nb']
# generated using pymatgen data_Nb3B3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.54130075 _cell_length_b 14.54130075 _cell_length_c 3.14221500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 167.04405781 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
63
63
# generated using pymatgen data_Nb3B3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28113400 _cell_length_b 28.89691800 _cell_length_c 3.14221500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,411
14,655
mp-1211338
-2.581633
4.3998
KTm(CO3)2
0
['C', 'K', 'O', 'Tm']
# generated using pymatgen data_KTm(CO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35530392 _cell_length_b 6.35530392 _cell_length_c 6.95959336 _cell_angle_alpha 76.15913178 _cell_angle_beta 76.15913178 _cell_angle_gamma 96.13314265 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
15
15
# generated using pymatgen data_KTm(CO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.49407600 _cell_length_b 9.45569800 _cell_length_c 6.95959336 _cell_angle_alpha 90.00000000 _cell_angle_beta 110.97619060 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
26,412
38,055
mp-1106139
0.045838
0
In4Bi3Pb
0.04701
['Bi', 'In', 'Pb']
# generated using pymatgen data_In4Bi3Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.10955825 _cell_length_b 9.10955825 _cell_length_c 9.10955825 _cell_angle_alpha 124.65502871 _cell_angle_beta 124.65502871 _cell_angle_gamma 82.11020639 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
140
140
# generated using pymatgen data_In4Bi3Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.46126400 _cell_length_b 8.46126400 _cell_length_c 13.73864000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
26,413
44,418
mp-756832
-2.207115
0
Li2Cr3SnO8
0.073594
['Cr', 'Li', 'O', 'Sn']
# generated using pymatgen data_Li2Cr3SnO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.94847128 _cell_length_b 5.94847128 _cell_length_c 5.94847136 _cell_angle_alpha 60.93848821 _cell_angle_beta 60.93848821 _cell_angle_gamma 60.93849537 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
160
160
# generated using pymatgen data_Li2Cr3SnO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03265170 _cell_length_b 6.03265170 _cell_length_c 14.46651796 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
26,414
17,604
mp-11824
-1.090284
1.4224
Ca3PN
0
['Ca', 'P', 'N']
# generated using pymatgen data_Ca3PN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72553200 _cell_length_b 4.72553200 _cell_length_c 4.72553200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
221
221
# generated using pymatgen data_Ca3PN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.72553200 _cell_length_b 4.72553200 _cell_length_c 4.72553200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
26,415
32,631
mp-1188080
0.026016
0
Yb3Eu
0.026016
['Eu', 'Yb']
# generated using pymatgen data_Yb3Eu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.70364451 _cell_length_b 7.70364451 _cell_length_c 6.33836700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000442 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_Yb3Eu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.70364451 _cell_length_b 7.70364451 _cell_length_c 6.33836700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,416
32,436
mp-759235
-2.436595
0
Li2CuF5
0.025229
['Cu', 'F', 'Li']
# generated using pymatgen data_Li2CuF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34135665 _cell_length_b 5.34135665 _cell_length_c 9.79763000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 137.36781578 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_Li2CuF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.88330400 _cell_length_b 9.95190000 _cell_length_c 9.79763000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,417
26,168
mp-1217652
-0.548112
0
Tb4CoSn8
0.010079
['Co', 'Sn', 'Tb']
# generated using pymatgen data_Tb4CoSn8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43216100 _cell_length_b 4.44798100 _cell_length_c 16.74194800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
25
25
# generated using pymatgen data_Tb4CoSn8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43216100 _cell_length_b 4.44798100 _cell_length_c 16.74194800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
26,418
33,672
mp-1215309
-2.773311
2.8421
ZrTi(PbO3)2
0.029884
['O', 'Pb', 'Ti', 'Zr']
# generated using pymatgen data_ZrTi(PbO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19376400 _cell_length_b 5.77536849 _cell_length_c 5.85453653 _cell_angle_alpha 88.52136135 _cell_angle_beta 88.90629516 _cell_angle_gamma 89.29799271 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
1
1
# generated using pymatgen data_ZrTi(PbO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19376400 _cell_length_b 5.77536849 _cell_length_c 5.85453653 _cell_angle_alpha 88.52136135 _cell_angle_beta 88.90629516 _cell_angle_gamma 89.29799271 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
26,419
25,244
mp-1223667
-1.16631
1.1677
K2BaSnTe4
0.008633
['Ba', 'K', 'Sn', 'Te']
# generated using pymatgen data_K2BaSnTe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.42507745 _cell_length_b 7.42507745 _cell_length_c 7.42507745 _cell_angle_alpha 109.12422193 _cell_angle_beta 109.12422193 _cell_angle_gamma 110.16746957 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
121
121
# generated using pymatgen data_K2BaSnTe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.61041801 _cell_length_b 8.61041801 _cell_length_c 8.49991201 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
26,420
45,007
mp-10286
-0.674598
0
KMnTe2
0.078652
['K', 'Mn', 'Te']
# generated using pymatgen data_KMnTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.77665383 _cell_length_b 7.77665383 _cell_length_c 7.77665383 _cell_angle_alpha 147.57904260 _cell_angle_beta 147.57904260 _cell_angle_gamma 46.50717345 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
119
119
# generated using pymatgen data_KMnTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34196600 _cell_length_b 4.34196600 _cell_length_c 14.28985800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,421
14,781
mp-229
-0.67342
0
ZrRh3
0
['Zr', 'Rh']
# generated using pymatgen data_ZrRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97341100 _cell_length_b 3.97341100 _cell_length_c 3.97341100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Z...
221
221
# generated using pymatgen data_ZrRh3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97341100 _cell_length_b 3.97341100 _cell_length_c 3.97341100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Z...
26,422
39,654
mp-1206154
-2.851435
3.6457
Rb3FeF6
0.052806
['F', 'Fe', 'Rb']
# generated using pymatgen data_Rb3FeF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64660302 _cell_length_b 6.64660302 _cell_length_c 6.64660302 _cell_angle_alpha 120.85137857 _cell_angle_beta 120.85137857 _cell_angle_gamma 88.53158794 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
139
139
# generated using pymatgen data_Rb3FeF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.56088800 _cell_length_b 6.56088800 _cell_length_c 9.51939200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,423
12,819
mp-5081
-1.631525
1.4371
SmCuS2
0
['Cu', 'S', 'Sm']
# generated using pymatgen data_SmCuS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.12722200 _cell_length_b 6.45408400 _cell_length_c 6.83519935 _cell_angle_alpha 82.54881983 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
14
14
# generated using pymatgen data_SmCuS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.45408400 _cell_length_b 7.12722200 _cell_length_c 6.83519935 _cell_angle_alpha 90.00000000 _cell_angle_beta 97.45118017 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,424
5,771
mp-22693
-0.387205
0
Te2W
0
['Te', 'W']
# generated using pymatgen data_Te2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49794100 _cell_length_b 6.33827400 _cell_length_c 15.43185100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
31
31
# generated using pymatgen data_Te2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49794100 _cell_length_b 6.33827400 _cell_length_c 15.43185100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
26,425
20,564
mp-1105619
-0.197632
0
Nd7Ni3
0.000487
['Nd', 'Ni']
# generated using pymatgen data_Nd7Ni3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35824000 _cell_length_b 9.92886146 _cell_length_c 9.92886146 _cell_angle_alpha 120.00299489 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
186
186
# generated using pymatgen data_Nd7Ni3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.92863673 _cell_length_b 9.92863673 _cell_length_c 6.35824000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,426
5,897
mp-579496
-0.251739
0
Fe3PtN
0
['Fe', 'Pt', 'N']
# generated using pymatgen data_Fe3PtN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85988100 _cell_length_b 3.85988100 _cell_length_c 3.85988100 _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_Fe3PtN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85988100 _cell_length_b 3.85988100 _cell_length_c 3.85988100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,427
34,592
mp-1114561
-1.645225
2.9896
Rb2LiBiBr6
0.033182
['Bi', 'Br', 'Li', 'Rb']
# generated using pymatgen data_Rb2LiBiBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.94498108 _cell_length_b 7.94498108 _cell_length_c 7.94498108 _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_Rb2LiBiBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.23590000 _cell_length_b 11.23590000 _cell_length_c 11.23590000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
26,428
44,210
mp-1221600
-0.343661
0
MnReB2
0.075591
['B', 'Mn', 'Re']
# generated using pymatgen data_MnReB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02678700 _cell_length_b 4.32040900 _cell_length_c 5.71109000 _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_MnReB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02678700 _cell_length_b 4.32040900 _cell_length_c 5.71109000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,429
2,970
mp-867890
-0.270715
0
AcCd3
0
['Ac', 'Cd']
# generated using pymatgen data_AcCd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19984193 _cell_length_b 7.19984193 _cell_length_c 5.11609000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999940 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_AcCd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.19984193 _cell_length_b 7.19984193 _cell_length_c 5.11609000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,430
5,669
mp-1210191
-2.391266
5.7223
NaAl(SO4)2
0
['Al', 'Na', 'O', 'S']
# generated using pymatgen data_NaAl(SO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71083661 _cell_length_b 4.71083661 _cell_length_c 7.30876635 _cell_angle_alpha 87.46046514 _cell_angle_beta 87.46046514 _cell_angle_gamma 65.05649123 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
12
12
# generated using pymatgen data_NaAl(SO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.94366205 _cell_length_b 5.06617800 _cell_length_c 7.30876635 _cell_angle_alpha 90.00000000 _cell_angle_beta 93.01244660 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
26,431
43,921
mp-759522
-2.715385
1.3116
V6O7F5
0.071847
['F', 'O', 'V']
# generated using pymatgen data_V6O7F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75329000 _cell_length_b 6.07196289 _cell_length_c 6.14540752 _cell_angle_alpha 101.32417575 _cell_angle_beta 99.01100163 _cell_angle_gamma 100.03970617 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
1
1
# generated using pymatgen data_V6O7F5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.75329000 _cell_length_b 6.07196289 _cell_length_c 6.14540752 _cell_angle_alpha 101.32417575 _cell_angle_beta 99.01100163 _cell_angle_gamma 100.03970617 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,432
40,105
mp-1177450
-2.613526
3.6499
Li4Cr(PO4)2
0.055133
['Cr', 'Li', 'O', 'P']
# generated using pymatgen data_Li4Cr(PO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86597101 _cell_length_b 5.51206972 _cell_length_c 6.07527967 _cell_angle_alpha 96.60468880 _cell_angle_beta 96.11130010 _cell_angle_gamma 98.05884376 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
2
2
# generated using pymatgen data_Li4Cr(PO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86597101 _cell_length_b 5.51206972 _cell_length_c 6.07527967 _cell_angle_alpha 96.60468880 _cell_angle_beta 96.11130010 _cell_angle_gamma 98.05884376 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
26,433
15,162
mp-1213340
-2.340941
0
Eu2CoRuO6
0
['Co', 'Eu', 'O', 'Ru']
# generated using pymatgen data_Eu2CoRuO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46482801 _cell_length_b 5.78589500 _cell_length_c 7.77623078 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.46213216 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
14
14
# generated using pymatgen data_Eu2CoRuO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.46482801 _cell_length_b 5.78589500 _cell_length_c 9.46236010 _cell_angle_alpha 90.00000000 _cell_angle_beta 124.73758032 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
26,434
32,412
mp-753573
-2.945744
3.0818
LiVF6
0.02474
['F', 'Li', 'V']
# generated using pymatgen data_LiVF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84811700 _cell_length_b 4.84811700 _cell_length_c 8.84417200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural L...
102
102
# generated using pymatgen data_LiVF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84811700 _cell_length_b 4.84811700 _cell_length_c 8.84417200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural L...
26,435
38,174
mp-1216347
-0.103586
0
VFe
0.046142
['Fe', 'V']
# generated using pymatgen data_VFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.51400174 _cell_length_b 2.51400174 _cell_length_c 4.02021601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.85379031 _symmetry_Int_Tables_number 1 _chemical_formula_structural VF...
65
65
# generated using pymatgen data_VFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.96057400 _cell_length_b 4.06396612 _cell_length_c 4.02021601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VFe...
26,436
25,620
mp-1186139
-0.158373
0
NaEu2Tl
0.009225
['Eu', 'Na', 'Tl']
# generated using pymatgen data_NaEu2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.72516501 _cell_length_b 5.72516501 _cell_length_c 5.72516501 _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_NaEu2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.09660600 _cell_length_b 8.09660600 _cell_length_c 8.09660600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,437
6,008
mp-1018826
-0.830779
0
NdGeAu
0
['Au', 'Ge', 'Nd']
# generated using pymatgen data_NdGeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51209038 _cell_length_b 4.51209038 _cell_length_c 7.87417000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000553 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
186
186
# generated using pymatgen data_NdGeAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51209038 _cell_length_b 4.51209038 _cell_length_c 7.87417000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,438
45,172
mp-752925
-2.469574
2.6353
LiFeSiO4
0.078904
['Fe', 'Li', 'O', 'Si']
# generated using pymatgen data_LiFeSiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53948100 _cell_length_b 8.59994200 _cell_length_c 4.53948200 _cell_angle_alpha 90.00000666 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000666 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
82
82
# generated using pymatgen data_LiFeSiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53948150 _cell_length_b 4.53948150 _cell_length_c 8.59994200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,439
9,376
mp-616492
-0.864643
0
DyGe2Pt
0
['Dy', 'Ge', 'Pt']
# generated using pymatgen data_DyGe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.54992139 _cell_length_b 9.54992139 _cell_length_c 9.54992139 _cell_angle_alpha 153.66545118 _cell_angle_beta 125.08847990 _cell_angle_gamma 61.89688496 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
71
71
# generated using pymatgen data_DyGe2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35084400 _cell_length_b 8.80624199 _cell_length_c 16.38060599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,440
36,309
mp-2081
-0.435795
0
TlTe
0.03821
['Te', 'Tl']
# generated using pymatgen data_TlTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.81701080 _cell_length_b 9.81701080 _cell_length_c 9.81701080 _cell_angle_alpha 95.94264610 _cell_angle_beta 95.94264610 _cell_angle_gamma 142.46057248 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
140
140
# generated using pymatgen data_TlTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.14502599 _cell_length_b 13.14502599 _cell_length_c 6.31754600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,441
27,491
mp-997005
-1.89307
0
CaAgO2
0.012498
['Ca', 'Ag', 'O']
# generated using pymatgen data_CaAgO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89985564 _cell_length_b 5.89985564 _cell_length_c 3.34701900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.64911026 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
65
65
# generated using pymatgen data_CaAgO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.79760200 _cell_length_b 9.64498799 _cell_length_c 3.34701900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,442
12,946
mp-865186
-0.46514
0
MgGaIr2
0
['Mg', 'Ga', 'Ir']
# generated using pymatgen data_MgGaIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34508915 _cell_length_b 4.34508915 _cell_length_c 4.34508915 _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_MgGaIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14488401 _cell_length_b 6.14488401 _cell_length_c 6.14488401 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,443
13,736
mp-19745
-0.694997
0
GdInIr
0
['Gd', 'In', 'Ir']
# generated using pymatgen data_GdInIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.54945987 _cell_length_b 7.54945987 _cell_length_c 4.01630000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999890 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
189
189
# generated using pymatgen data_GdInIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.54945987 _cell_length_b 7.54945987 _cell_length_c 4.01630000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,444
24,318
mp-18978
-2.696181
0
Sr2MnO4
0.006581
['Mn', 'O', 'Sr']
# generated using pymatgen data_Sr2MnO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86531296 _cell_length_b 3.86531309 _cell_length_c 6.85889186 _cell_angle_alpha 106.36610281 _cell_angle_beta 106.36610954 _cell_angle_gamma 89.99999078 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
139
139
# generated using pymatgen data_Sr2MnO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86531302 _cell_length_b 3.86531302 _cell_length_c 12.58158558 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,445
12,178
mp-1219979
-0.610826
0
PrGa3Au
0
['Au', 'Ga', 'Pr']
# generated using pymatgen data_PrGa3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33560600 _cell_length_b 4.33560600 _cell_length_c 6.33731830 _cell_angle_alpha 69.99699346 _cell_angle_beta 69.99699346 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
107
107
# generated using pymatgen data_PrGa3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33560600 _cell_length_b 4.33560600 _cell_length_c 11.09285600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,446
36,911
mp-753848
-1.112467
0
Li(CuO)3
0.040393
['Li', 'Cu', 'O']
# generated using pymatgen data_Li(CuO)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96486900 _cell_length_b 3.96486900 _cell_length_c 9.15589800 _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_Li(CuO)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96486900 _cell_length_b 3.96486900 _cell_length_c 9.15589800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,447
15,436
mp-863710
-1.507863
1.1958
KAcTe2
0
['K', 'Ac', 'Te']
# generated using pymatgen data_KAcTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.81147163 _cell_length_b 5.81147163 _cell_length_c 5.81147163 _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_KAcTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.21866200 _cell_length_b 8.21866200 _cell_length_c 8.21866200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,448
34,370
mp-555267
-0.537815
0.5301
CuHgSBr
0.030853
['Br', 'Cu', 'Hg', 'S']
# generated using pymatgen data_CuHgSBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11045500 _cell_length_b 9.57892900 _cell_length_c 10.10252600 _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_CuHgSBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11045500 _cell_length_b 9.57892900 _cell_length_c 10.10252600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,449
770
mp-1184233
-0.308504
0
ErMgAg2
0
['Ag', 'Er', 'Mg']
# generated using pymatgen data_ErMgAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.92807606 _cell_length_b 4.92807606 _cell_length_c 4.92807606 _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_ErMgAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96935200 _cell_length_b 6.96935200 _cell_length_c 6.96935200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,450
24,018
mp-1069
-0.515201
0
HfSi2
0.006487
['Hf', 'Si']
# generated using pymatgen data_HfSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.49830741 _cell_length_b 7.49830741 _cell_length_c 3.65954400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 151.44465374 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_HfSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69848600 _cell_length_b 14.53339800 _cell_length_c 3.65954400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,451
34,497
mvc-6408
-2.770836
0
CaV2O4
0.030591
['Ca', 'O', 'V']
# generated using pymatgen data_CaV2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18938607 _cell_length_b 5.18938607 _cell_length_c 10.11168800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 145.29505296 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_CaV2O4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09546000 _cell_length_b 9.90641401 _cell_length_c 10.11168800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,452
38,066
mp-1112174
-1.107739
0
KAuBr3
0.046329
['Au', 'Br', 'K']
# generated using pymatgen data_KAuBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41337800 _cell_length_b 5.41337800 _cell_length_c 5.41337800 _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_KAuBr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41337800 _cell_length_b 5.41337800 _cell_length_c 5.41337800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,453
17,909
mp-7171
-1.603077
0
TmP
0
['P', 'Tm']
# generated using pymatgen data_TmP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95014455 _cell_length_b 3.95014455 _cell_length_c 3.95014455 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmP...
225
225
# generated using pymatgen data_TmP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.58634800 _cell_length_b 5.58634800 _cell_length_c 5.58634800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmP...
26,454
29,087
mp-1183270
-2.607443
4.9419
Al2Si2H4O9
0.017056
['Al', 'H', 'O', 'Si']
# generated using pymatgen data_Al2Si2H4O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21745143 _cell_length_b 5.21745143 _cell_length_c 7.13750952 _cell_angle_alpha 89.07518436 _cell_angle_beta 89.07518436 _cell_angle_gamma 119.61166746 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
8
8
# generated using pymatgen data_Al2Si2H4O9 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24804600 _cell_length_b 9.01915799 _cell_length_c 7.13750952 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.83908441 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
26,455
15,360
mp-558223
-2.689503
2.9098
TbMoClO4
0
['Cl', 'Mo', 'O', 'Tb']
# generated using pymatgen data_TbMoClO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.34860614 _cell_length_b 6.34860614 _cell_length_c 6.93922215 _cell_angle_alpha 76.09722537 _cell_angle_beta 76.09722537 _cell_angle_gamma 70.85277669 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_TbMoClO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.34646200 _cell_length_b 7.36002200 _cell_length_c 6.93922215 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.14952237 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
26,456
572
mp-1207947
-0.62669
0
TmZnGe
0
['Ge', 'Tm', 'Zn']
# generated using pymatgen data_TmZnGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22930562 _cell_length_b 4.22930562 _cell_length_c 15.26670400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999409 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_TmZnGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22930562 _cell_length_b 4.22930562 _cell_length_c 15.26670400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,457
22,707
mp-1223769
-3.018563
1.936
K4Ta3NbO12
0.003726
['K', 'Nb', 'O', 'Ta']
# generated using pymatgen data_K4Ta3NbO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.87996803 _cell_length_b 9.87996803 _cell_length_c 9.87996753 _cell_angle_alpha 33.55683996 _cell_angle_beta 33.55683996 _cell_angle_gamma 33.55683611 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
166
166
# generated using pymatgen data_K4Ta3NbO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70412425 _cell_length_b 5.70412425 _cell_length_c 27.94481672 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
26,458
15,651
mp-1206427
-2.567985
0.9296
KRb2CuF6
0
['Cu', 'F', 'K', 'Rb']
# generated using pymatgen data_KRb2CuF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29980240 _cell_length_b 6.29980240 _cell_length_c 6.29980240 _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_KRb2CuF6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.90926599 _cell_length_b 8.90926599 _cell_length_c 8.90926599 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,459
27,114
mp-1186325
-0.324163
0
NdTmZn2
0.011991
['Nd', 'Tm', 'Zn']
# generated using pymatgen data_NdTmZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10387836 _cell_length_b 5.10387836 _cell_length_c 5.10387836 _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_NdTmZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.21797400 _cell_length_b 7.21797400 _cell_length_c 7.21797400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,460
34,515
mp-1027472
-1.126199
0.9063
Mo3W(SeS3)2
0.032568
['Mo', 'S', 'Se', 'W']
# generated using pymatgen data_Mo3W(SeS3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22057545 _cell_length_b 3.22057545 _cell_length_c 36.36268400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998878 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
156
156
# generated using pymatgen data_Mo3W(SeS3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.22057545 _cell_length_b 3.22057545 _cell_length_c 36.36268400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
26,461
2,314
mp-28266
-0.429536
0.4061
P2Pd
0
['P', 'Pd']
# generated using pymatgen data_P2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.55519147 _cell_length_b 4.55519147 _cell_length_c 5.91973872 _cell_angle_alpha 66.27831708 _cell_angle_beta 66.27831708 _cell_angle_gamma 80.72994623 _symmetry_Int_Tables_number 1 _chemical_formula_structural P2...
15
15
# generated using pymatgen data_P2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94151401 _cell_length_b 5.90037801 _cell_length_c 5.91973872 _cell_angle_alpha 90.00000000 _cell_angle_beta 121.86979490 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural P...
26,462
26,544
mp-1104177
-0.905322
0
Pr3Pt2
0.011333
['Pr', 'Pt']
# generated using pymatgen data_Pr3Pt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.76998547 _cell_length_b 7.76998547 _cell_length_c 7.76998507 _cell_angle_alpha 72.06275409 _cell_angle_beta 72.06275409 _cell_angle_gamma 72.06276078 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
148
148
# generated using pymatgen data_Pr3Pt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.14104951 _cell_length_b 9.14104951 _cell_length_c 17.10782568 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,463
44,400
mp-755305
-2.318074
0.8401
Li3MnV4O8
0.074102
['Li', 'Mn', 'O', 'V']
# generated using pymatgen data_Li3MnV4O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03086889 _cell_length_b 6.03086889 _cell_length_c 6.10974062 _cell_angle_alpha 59.78347506 _cell_angle_beta 59.78347506 _cell_angle_gamma 60.24835620 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
12
12
# generated using pymatgen data_Li3MnV4O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.43267601 _cell_length_b 6.05349400 _cell_length_c 6.10974062 _cell_angle_alpha 90.00000000 _cell_angle_beta 125.58109497 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
26,464
26,672
mp-1213250
-0.784025
0
Er5SbPd2
0.010823
['Er', 'Pd', 'Sb']
# generated using pymatgen data_Er5SbPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.72512703 _cell_length_b 8.72512703 _cell_length_c 8.72512703 _cell_angle_alpha 127.75215931 _cell_angle_beta 127.75215931 _cell_angle_gamma 77.02686544 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
140
140
# generated using pymatgen data_Er5SbPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.68359200 _cell_length_b 7.68359200 _cell_length_c 13.65416400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
26,465
44,903
mp-754436
-2.008523
0
Li3Y(NiO3)2
0.077648
['Li', 'Ni', 'O', 'Y']
# generated using pymatgen data_Li3Y(NiO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31395085 _cell_length_b 5.31527748 _cell_length_c 5.22494478 _cell_angle_alpha 81.43825481 _cell_angle_beta 98.64248891 _cell_angle_gamma 59.27885580 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
12
12
# generated using pymatgen data_Li3Y(NiO3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25657966 _cell_length_b 9.23844505 _cell_length_c 5.22494478 _cell_angle_alpha 90.00000000 _cell_angle_beta 107.60458440 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
26,466
36,741
mp-1224085
0.041028
0
HfZrV4
0.041028
['Hf', 'V', 'Zr']
# generated using pymatgen data_HfZrV4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18701573 _cell_length_b 5.18701573 _cell_length_c 5.18701573 _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_HfZrV4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.33554799 _cell_length_b 7.33554799 _cell_length_c 7.33554799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,467
31,202
mp-1217015
-0.30495
0
TiAl2V
0.022261
['Al', 'Ti', 'V']
# generated using pymatgen data_TiAl2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75626100 _cell_length_b 2.75626100 _cell_length_c 8.03723100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
123
123
# generated using pymatgen data_TiAl2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75626100 _cell_length_b 2.75626100 _cell_length_c 8.03723100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,468
13,178
mp-1218982
-0.674303
0.0364
SmZnCuAs2
0
['As', 'Cu', 'Sm', 'Zn']
# generated using pymatgen data_SmZnCuAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15743360 _cell_length_b 4.15743360 _cell_length_c 6.79302000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999368 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
156
156
# generated using pymatgen data_SmZnCuAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15743360 _cell_length_b 4.15743360 _cell_length_c 6.79302000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
26,469
25,723
mp-1218835
-0.551021
0.8162
SnGeSe2
0.009095
['Ge', 'Se', 'Sn']
# generated using pymatgen data_SnGeSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03801500 _cell_length_b 4.57280900 _cell_length_c 11.44638400 _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_SnGeSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.03801500 _cell_length_b 4.57280900 _cell_length_c 11.44638400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,470
9,751
mp-18785
-2.281001
0
CrWO4
0
['Cr', 'O', 'W']
# generated using pymatgen data_CrWO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15478010 _cell_length_b 4.63117706 _cell_length_c 4.63320498 _cell_angle_alpha 91.07682916 _cell_angle_beta 89.99967347 _cell_angle_gamma 90.00034516 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
65
65
# generated using pymatgen data_CrWO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.48905961 _cell_length_b 6.61217695 _cell_length_c 3.15478010 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
26,471
37,048
mp-1096842
-1.80137
1.8811
Ba3SnS5
0.042096
['Ba', 'S', 'Sn']
# generated using pymatgen data_Ba3SnS5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.46515065 _cell_length_b 9.46515065 _cell_length_c 9.46515065 _cell_angle_alpha 126.18719355 _cell_angle_beta 126.18719355 _cell_angle_gamma 79.58069295 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
140
140
# generated using pymatgen data_Ba3SnS5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.56661200 _cell_length_b 8.56661200 _cell_length_c 14.54588000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,472
41,144
mp-1187324
0.059609
0
Tb3Th
0.059609
['Tb', 'Th']
# generated using pymatgen data_Tb3Th _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15871893 _cell_length_b 6.15871893 _cell_length_c 6.15871893 _cell_angle_alpha 131.33101345 _cell_angle_beta 131.33101345 _cell_angle_gamma 71.28769302 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
139
139
# generated using pymatgen data_Tb3Th _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07556000 _cell_length_b 5.07556000 _cell_length_c 10.00982801 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,473
12,693
mp-1226644
-0.364768
0
CeAl2Cu3
0
['Al', 'Ce', 'Cu']
# generated using pymatgen data_CeAl2Cu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16226800 _cell_length_b 5.16226800 _cell_length_c 4.18815800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 118.15786832 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
65
65
# generated using pymatgen data_CeAl2Cu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.30533200 _cell_length_b 8.85717201 _cell_length_c 4.18815800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,474
22,077
mp-1179728
-1.812981
2.173
RbF3
0.00256
['F', 'Rb']
# generated using pymatgen data_RbF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54617800 _cell_length_b 6.75043400 _cell_length_c 9.95042700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb...
19
19
# generated using pymatgen data_RbF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54617800 _cell_length_b 6.75043400 _cell_length_c 9.95042700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Rb...
26,475
27,161
mp-1215991
-0.134824
0
YTiCo11
0.012405
['Co', 'Ti', 'Y']
# generated using pymatgen data_YTiCo11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67283600 _cell_length_b 6.34413306 _cell_length_c 6.34413306 _cell_angle_alpha 97.49410387 _cell_angle_beta 111.60958604 _cell_angle_gamma 68.39041396 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
44
44
# generated using pymatgen data_YTiCo11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67283600 _cell_length_b 8.31620600 _cell_length_c 8.36644600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,476
10,639
mp-1210613
-2.460157
1.5979
Mn2VPO7
0
['Mn', 'O', 'P', 'V']
# generated using pymatgen data_Mn2VPO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85037262 _cell_length_b 5.52417685 _cell_length_c 5.52419564 _cell_angle_alpha 105.84175237 _cell_angle_beta 97.75803318 _cell_angle_gamma 97.75799271 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
8
8
# generated using pymatgen data_Mn2VPO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.66125537 _cell_length_b 8.81443201 _cell_length_c 4.85037262 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.93784295 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,477
31,631
mp-1188546
-0.163953
0
Th2Co7
0.023622
['Co', 'Th']
# generated using pymatgen data_Th2Co7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96418361 _cell_length_b 4.96418400 _cell_length_c 12.74795261 _cell_angle_alpha 78.77250032 _cell_angle_beta 78.77250195 _cell_angle_gamma 59.99999739 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
166
166
# generated using pymatgen data_Th2Co7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96418361 _cell_length_b 4.96418361 _cell_length_c 37.26477299 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,478
42,553
mp-1103953
-2.002705
0
Nb2Cu3O8
0.066234
['Cu', 'Nb', 'O']
# generated using pymatgen data_Nb2Cu3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25898785 _cell_length_b 5.52568529 _cell_length_c 6.21423293 _cell_angle_alpha 73.52601491 _cell_angle_beta 81.79129698 _cell_angle_gamma 66.66135993 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
2
2
# generated using pymatgen data_Nb2Cu3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25898785 _cell_length_b 5.52568529 _cell_length_c 6.21423293 _cell_angle_alpha 73.52601491 _cell_angle_beta 81.79129698 _cell_angle_gamma 66.66135993 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,479
41,311
mp-1522103
-2.847463
0
BaSrCeFeO6
0.059628
['Ba', 'Ce', 'Fe', 'O', 'Sr']
# generated using pymatgen data_BaSrCeFeO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.92450664 _cell_length_b 5.92450664 _cell_length_c 5.92450664 _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_BaSrCeFeO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.37851764 _cell_length_b 8.37851764 _cell_length_c 8.37851764 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
26,480
26,329
mp-28901
-3.312346
3.408
AlFeF5
0.01022
['Al', 'F', 'Fe']
# generated using pymatgen data_AlFeF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25089046 _cell_length_b 5.25089046 _cell_length_c 5.25089046 _cell_angle_alpha 139.81074561 _cell_angle_beta 106.04824300 _cell_angle_gamma 87.68670145 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
71
71
# generated using pymatgen data_AlFeF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60811400 _cell_length_b 6.31659800 _cell_length_c 7.57426600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,481
39,776
mp-1293112
-2.813493
1.1265
Li2Ti2V3O10
0.052619
['Li', 'O', 'Ti', 'V']
# generated using pymatgen data_Li2Ti2V3O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21916823 _cell_length_b 5.16613093 _cell_length_c 7.73764829 _cell_angle_alpha 77.87958927 _cell_angle_beta 104.24011264 _cell_angle_gamma 103.40146685 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
1
1
# generated using pymatgen data_Li2Ti2V3O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16613093 _cell_length_b 5.21916823 _cell_length_c 7.73764829 _cell_angle_alpha 75.75988736 _cell_angle_beta 77.87958927 _cell_angle_gamma 76.59853315 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
26,482
1,488
mp-929
-0.311392
0
ZrCo2
0
['Zr', 'Co']
# generated using pymatgen data_ZrCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88536115 _cell_length_b 4.88536115 _cell_length_c 4.88536115 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Z...
227
227
# generated using pymatgen data_ZrCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.90894400 _cell_length_b 6.90894400 _cell_length_c 6.90894400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Z...
26,483
38,647
mp-1205808
-2.180111
0
Rb2LiYbCl6
0.048486
['Cl', 'Li', 'Rb', 'Yb']
# generated using pymatgen data_Rb2LiYbCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.39857422 _cell_length_b 7.39857422 _cell_length_c 7.39857422 _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_Rb2LiYbCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.46316400 _cell_length_b 10.46316400 _cell_length_c 10.46316400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
26,484
10,035
mp-1079607
-0.63449
0
LiLaSn2
0
['La', 'Li', 'Sn']
# generated using pymatgen data_LiLaSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.90514604 _cell_length_b 9.90514604 _cell_length_c 4.57392900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 153.04483314 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
63
63
# generated using pymatgen data_LiLaSn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61708400 _cell_length_b 19.26474001 _cell_length_c 4.57392900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,485
14,008
mp-10208
-0.575482
0
NiMoP2
0
['Ni', 'Mo', 'P']
# generated using pymatgen data_NiMoP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34692159 _cell_length_b 3.34692159 _cell_length_c 11.19200400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999184 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_NiMoP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34692159 _cell_length_b 3.34692159 _cell_length_c 11.19200400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,486
31,245
mp-1222695
-0.102823
0
LaYMg4
0.022363
['La', 'Mg', 'Y']
# generated using pymatgen data_LaYMg4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.12767706 _cell_length_b 6.12767706 _cell_length_c 6.12767706 _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_LaYMg4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.66584400 _cell_length_b 8.66584400 _cell_length_c 8.66584400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,487
4,227
mp-12964
-0.49389
0
TbNi4B
0
['B', 'Ni', 'Tb']
# generated using pymatgen data_TbNi4B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97396521 _cell_length_b 4.97396521 _cell_length_c 6.95790000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998948 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
191
191
# generated using pymatgen data_TbNi4B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97396521 _cell_length_b 4.97396521 _cell_length_c 6.95790000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,488
44,387
mp-754387
-1.9945
0.4042
Ni3OF5
0.073981
['F', 'Ni', 'O']
# generated using pymatgen data_Ni3OF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08301500 _cell_length_b 6.63818900 _cell_length_c 10.52969084 _cell_angle_alpha 71.71895487 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
6
6
# generated using pymatgen data_Ni3OF5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.63818900 _cell_length_b 3.08301500 _cell_length_c 10.52969084 _cell_angle_alpha 90.00000000 _cell_angle_beta 108.28104513 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,489
41,451
mp-772550
-1.497263
2.3334
CrO3
0.060114
['Cr', 'O']
# generated using pymatgen data_CrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86999377 _cell_length_b 6.86999377 _cell_length_c 5.85759582 _cell_angle_alpha 74.73410512 _cell_angle_beta 74.73410512 _cell_angle_gamma 84.39294666 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr...
15
15
# generated using pymatgen data_CrO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.17921399 _cell_length_b 9.22880599 _cell_length_c 5.85759582 _cell_angle_alpha 90.00000000 _cell_angle_beta 110.81814400 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,490
43,891
mp-755596
-2.703238
0
TiCrO4
0.071427
['Cr', 'O', 'Ti']
# generated using pymatgen data_TiCrO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.55996244 _cell_length_b 5.55996244 _cell_length_c 5.55996244 _cell_angle_alpha 140.62099266 _cell_angle_beta 140.62099266 _cell_angle_gamma 56.91161261 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
119
119
# generated using pymatgen data_TiCrO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74655600 _cell_length_b 3.74655600 _cell_length_c 9.77647000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,491
26,254
mp-1226607
-0.66397
0
CeNdSi2
0.009814
['Ce', 'Nd', 'Si']
# generated using pymatgen data_CeNdSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92249400 _cell_length_b 5.86219700 _cell_length_c 8.20340300 _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_CeNdSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.92249400 _cell_length_b 5.86219700 _cell_length_c 8.20340300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,492
33,012
mp-1025182
-0.835285
0
V2FeSe4
0.028303
['V', 'Fe', 'Se']
# generated using pymatgen data_V2FeSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.81853896 _cell_length_b 6.81853896 _cell_length_c 6.18588388 _cell_angle_alpha 64.45132228 _cell_angle_beta 64.45132228 _cell_angle_gamma 28.49083069 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
12
12
# generated using pymatgen data_V2FeSe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 13.21774600 _cell_length_b 3.35575400 _cell_length_c 6.18588388 _cell_angle_alpha 90.00000000 _cell_angle_beta 116.42078074 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
26,493
44,732
mp-1223256
-2.950621
0
KTa2O6
0.076891
['K', 'O', 'Ta']
# generated using pymatgen data_KTa2O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.54496093 _cell_length_b 7.54496093 _cell_length_c 7.54496093 _cell_angle_alpha 119.79292368 _cell_angle_beta 119.57848680 _cell_angle_gamma 90.54534139 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
74
74
# generated using pymatgen data_KTa2O6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.56856400 _cell_length_b 7.59298000 _cell_length_c 10.61928601 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,494
8,113
mp-1189750
-0.378855
0
Ho5In3
0
['Ho', 'In']
# generated using pymatgen data_Ho5In3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.12519800 _cell_length_b 9.11267708 _cell_length_c 9.11267708 _cell_angle_alpha 83.51457059 _cell_angle_beta 70.36170442 _cell_angle_gamma 70.36170442 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
140
140
# generated using pymatgen data_Ho5In3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.13765801 _cell_length_b 12.13765801 _cell_length_c 6.12519800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,495
44,796
mp-1282653
-1.919165
0
Li2CrNiO4
0.077592
['Cr', 'Li', 'Ni', 'O']
# generated using pymatgen data_Li2CrNiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05029822 _cell_length_b 7.71588632 _cell_length_c 5.13509744 _cell_angle_alpha 92.53962204 _cell_angle_beta 113.22595573 _cell_angle_gamma 105.21790017 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
8
8
# generated using pymatgen data_Li2CrNiO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.43786526 _cell_length_b 4.05029822 _cell_length_c 8.12323522 _cell_angle_alpha 90.00000000 _cell_angle_beta 115.34844273 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
26,496
39,165
mp-1213719
-1.028257
0
Cs2O3
0.051856
['Cs', 'O']
# generated using pymatgen data_Cs2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.56121537 _cell_length_b 8.56121537 _cell_length_c 8.56121537 _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_Cs2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.88564000 _cell_length_b 9.88564000 _cell_length_c 9.88564000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural C...
26,497
41,182
mp-1215667
-1.336686
0
Yb4Sc4Sb4O
0.060215
['O', 'Sb', 'Sc', 'Yb']
# generated using pymatgen data_Yb4Sc4Sb4O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47494400 _cell_length_b 4.47494400 _cell_length_c 16.12574600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
123
123
# generated using pymatgen data_Yb4Sc4Sb4O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.47494400 _cell_length_b 4.47494400 _cell_length_c 16.12574600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structur...
26,498
15,704
mp-1226516
-0.830462
0
CeNiSb
0
['Ce', 'Ni', 'Sb']
# generated using pymatgen data_CeNiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10546800 _cell_length_b 4.33396552 _cell_length_c 4.33392884 _cell_angle_alpha 119.99826250 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
187
187
# generated using pymatgen data_CeNiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.33394718 _cell_length_b 4.33394718 _cell_length_c 4.10546800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
26,499
15,010
mp-1018671
-0.46034
0
CeZnGa
0
['Ce', 'Ga', 'Zn']
# generated using pymatgen data_CeZnGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49154246 _cell_length_b 4.49154246 _cell_length_c 7.47396200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000671 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
194
194
# generated using pymatgen data_CeZnGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49154246 _cell_length_b 4.49154246 _cell_length_c 7.47396200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...