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LeMat-Bulk-MLIP-Formation-Energies

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data_dataset_pos
int64
0
1.96M
mace_mp_energy
float64
-2,613.03
16k
mace_omat_energy
float64
-2,613.03
16k
orb_energy
float64
-2,562.33
1.93k
uma_energy
float64
-2,615.15
1.19k
immutable_id
stringlengths
4
13
true_energy
float64
-2,617.15
5.19k
nsites
int64
1
444
species_at_sites
stringlengths
5
1.85k
formation_energy
float64
-904.18
5.21k
formation_energy_per_atom
float64
-5.46
651
0
-610.02356
-610.02356
-596.328
-610.91693
mp-1196446
-609.822665
128
['Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'As' 'As' 'As' 'As' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-126.20222
-0.985955
1
-213.45117
-213.45117
-210.51363
-213.69066
mp-774651
-214.073261
40
['Li' 'Li' 'Li' 'Li' 'Zn' 'Zn' 'Zn' 'Zn' 'As' 'As' 'As' 'As' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-56.37786
-1.409447
2
-17.279568
-17.279568
-17.365137
-17.446325
agm005415715
-17.323021
5
['Sr' 'Sb' 'Sb' 'Sb' 'Sb']
0.869816
0.173963
3
-341.28024
-341.28024
-333.2904
-341.13458
mp-735578
-339.441216
56
['Sr' 'Sr' 'Sr' 'Sr' 'Mo' 'Mo' 'Mo' 'Mo' 'As' 'As' 'As' 'As' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-71.279733
-1.272852
4
-595.8313
-595.8313
-573.50543
-595.3814
mp-1221862
-595.079164
116
['Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'As' 'As' 'P' 'P' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-142.335325
-1.227029
5
-36.925575
-36.925575
-36.421097
-36.780262
agm004270706
-36.673356
4
['Ir' 'Os' 'Os' 'Y']
1.1136
0.2784
6
-25.45325
-25.45325
-25.38466
-25.43094
agm003834826
-25.925063
4
['K' 'Mn' 'Mn' 'W']
6.488715
1.622179
7
-11.606063
-11.606064
-11.497309
-11.519685
oqmd-3990703
-11.6164
3
['K' 'Nb' 'Ni']
5.469904
1.823301
8
-14.524625
-14.524627
-14.593569
-14.631492
agm002089781
-14.905885
3
['K' 'Nb' 'Ni']
2.180419
0.726806
9
-77.88322
-77.88322
-75.892555
-77.84133
oqmd-6128763
-78.0105
10
['B' 'B' 'Co' 'Co' 'N' 'N' 'N' 'Sm' 'Sm' 'Tm']
-11.490839
-1.149084
10
-23.38768
-23.38768
-23.316277
-23.259888
agm002982213
-24.008686
10
['H' 'H' 'H' 'H' 'Tl' 'Tl' 'Tl' 'Tl' 'Mg' 'Mg']
2.248342
0.224834
11
-14.611705
-14.611705
-14.063103
-14.156602
agm002680165
-15.047332
4
['H' 'H' 'Zn' 'Mn']
2.187828
0.546957
12
-386.04233
-386.04233
-369.73242
-385.8108
agm001819839
-384.004072
80
['Mo' 'Mo' 'Mo' 'Mo' 'Mo' 'Mo' 'Mo' 'Mo' 'Mo' 'Mo' 'Mo' 'Mo' 'Pd' 'Pd' 'Pd' 'Pd' 'Pd' 'Pd' 'Pd' 'Pd' 'Pd' 'Pd' 'Pd' 'Pd' 'Pd' 'Pd' 'Pd' 'Pd' 'Pd' 'Pd' 'Pd' 'Pd' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H']
13.056836
0.16321
13
-157.2249
-157.2249
-153.78694
-157.6059
agm003233784
-158.20775
26
['Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Cu' 'Cu' 'B' 'B' 'P' 'P' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-48.38751
-1.861058
14
-520.07666
-520.0767
-516.664
-519.45105
mp-1045705
-520.334225
96
['Zn' 'Zn' 'Zn' 'Zn' 'Zn' 'Zn' 'Zn' 'Zn' 'Sb' 'Sb' 'Sb' 'Sb' 'Sb' 'Sb' 'Sb' 'Sb' 'As' 'As' 'As' 'As' 'As' 'As' 'As' 'As' 'As' 'As' 'As' 'As' 'As' 'As' 'As' 'As' 'Se' 'Se' 'Se' 'Se' 'Se' 'Se' 'Se' 'Se' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-97.093805
-1.011394
15
-80.67671
-80.67671
-78.235916
-80.4001
oqmd-9972895
-80.7315
10
['B' 'B' 'Er' 'Er' 'Fe' 'Fe' 'N' 'N' 'N' 'Tm']
-11.798602
-1.17986
16
-42.246155
-42.246155
-40.956066
-42.162113
agm002835301
-41.833067
8
['H' 'H' 'H' 'H' 'Mo' 'Mo' 'Si' 'Si']
4.301108
0.537638
17
-74.026306
-74.026306
-74.00884
-73.935745
oqmd-7550478
-55.148
12
['Au' 'Au' 'Ba' 'Ba' 'Gd' 'Gd' 'Se' 'Se' 'Te' 'Te' 'Te' 'Te']
2.968983
0.247415
18
-14.638492
-14.63849
-14.555799
-14.520613
oqmd-5110461
-14.5902
3
['K' 'Pa' 'Ta']
7.87034
2.623447
19
-27.331131
-27.331131
-27.319313
-27.423674
agm005462847
-27.240467
6
['Ta' 'Sb' 'Sb' 'Sb' 'Sb' 'Sb']
5.248949
0.874825
20
-11.239477
-11.239476
-11.151608
-11.228182
agm002664235
-11.410171
4
['Te' 'Te' 'Co' 'Hg']
2.290691
0.572673
21
-25.633705
-25.633705
-25.292751
-25.605322
agm002105806
-25.628912
5
['Bi' 'P' 'Pd' 'Au' 'N']
0.474798
0.09496
22
-16.167027
-16.167027
-16.168415
-16.179092
agm004275448
-16.25153
3
['K' 'Se' 'W']
1.312617
0.437539
23
-16.60762
-16.607622
-16.724201
-16.811
agm004307923
-16.971501
3
['La' 'Re' 'Sr']
2.088959
0.69632
24
-34.84192
-34.84192
-34.671516
-34.951122
agm001022934
-35.191245
6
['H' 'H' 'Mo' 'Mo' 'Sn' 'Sn']
1.317536
0.219589
25
-11.466446
-11.466448
-11.292814
-11.43817
agm003908881
-11.734558
3
['Li' 'Ni' 'Sb']
0.08794
0.029313
26
-17.573736
-17.573738
-17.54251
-17.517784
agm002492784
-17.303178
5
['Sb' 'Sb' 'Sb' 'H' 'N']
6.817361
1.363472
27
-16.667212
-16.667213
-16.51364
-16.68998
agm001738073
-16.67594
5
['H' 'Te' 'Te' 'N' 'N']
9.692529
1.938506
28
-45.8137
-45.8137
-45.679337
-45.724022
oqmd-9427361
-45.9995
10
['Co' 'I' 'I' 'I' 'I' 'I' 'La' 'La' 'La' 'La']
-11.425096
-1.14251
29
-14.298739
-14.298737
-14.487314
-14.419976
oqmd-3053061
-14.7333
3
['Bi' 'Pm' 'Si']
-0.676687
-0.225562
30
-66.94682
-66.94682
-66.74925
-67.03004
agm002858270
-67.42431
8
['Pb' 'Pb' 'N' 'N' 'N' 'N' 'Ta' 'Ta']
-2.931535
-0.366442
31
-42.75885
-42.758858
-42.664497
-42.834225
agm002988637
-42.924851
10
['Nb' 'Nb' 'Bi' 'Bi' 'Bi' 'Bi' 'Li' 'Li' 'Li' 'Li']
0.643572
0.064357
32
-12.075094
-12.075094
-11.989758
-12.061034
agm002634824
-12.270743
4
['I' 'Ge' 'Ge' 'Al']
2.267799
0.56695
33
-9.29236
-9.29236
-9.269903
-9.294336
agm001850064
-9.458783
3
['Tb' 'Hg' 'Al']
-0.780537
-0.260179
34
-151.80199
-151.80197
-151.40623
-151.78598
mp-555392
-152.264595
36
['K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'K' 'Na' 'Na' 'Au' 'Au' 'Au' 'Au' 'I' 'I' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-40.722786
-1.131188
35
-58.95139
-58.95139
-59.01357
-58.99323
oqmd-5011330
-59.1457
12
['Ba' 'Ba' 'Cu' 'Cu' 'La' 'La' 'S' 'S' 'Te' 'Te' 'Te' 'Te']
-16.416729
-1.368061
36
-172.07953
-172.07953
-170.44319
-172.31277
mp-1518460
-172.353223
20
['Ba' 'Ba' 'Nd' 'Nd' 'Eu' 'Eu' 'Nb' 'Nb' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-58.534063
-2.926703
37
-225.74863
-225.74861
-223.6797
-225.87987
mp-1228528
-226.131581
30
['Ba' 'Ba' 'Ba' 'Ba' 'Nb' 'Nb' 'P' 'P' 'P' 'P' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'F' 'F']
-83.332171
-2.777739
38
-14.12664
-14.126641
-14.072878
-14.051059
agm002514166
-14.06083
5
['Pb' 'Bi' 'Bi' 'Bi' 'Li']
3.204211
0.640842
39
-51.35092
-51.35092
-51.443554
-51.429478
oqmd-6109631
-51.5956
10
['Br' 'Br' 'Br' 'Br' 'C' 'Cl' 'Nd' 'Nd' 'Sm' 'Sm']
-14.847515
-1.484752
40
-23.863455
-23.863455
-23.743488
-23.909508
agm002848833
-24.137064
8
['Pb' 'Pb' 'Bi' 'Bi' 'Li' 'Li' 'Li' 'Li']
-1.303173
-0.162897
41
-276.54648
-276.5465
-274.57278
-277.1686
mp-560326
-277.318114
38
['Ba' 'Ba' 'Ba' 'Ba' 'Ba' 'Ba' 'Ba' 'Ba' 'Ba' 'Ba' 'B' 'B' 'B' 'B' 'B' 'B' 'C' 'C' 'N' 'N' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-93.601764
-2.463204
42
-48.14596
-48.14596
-48.246494
-48.295223
oqmd-6113349
-48.4752
10
['Br' 'Br' 'Br' 'C' 'Dy' 'Dy' 'Ho' 'Ho' 'I' 'I']
-12.756743
-1.275674
43
-485.79327
-485.79327
-474.50293
-486.22244
oqmd-9918183
-486.786
68
['B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'Ba' 'Ba' 'Ba' 'Ba' 'K' 'K' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'Zn' 'Zn' 'Zn' 'Zn' 'Zn' 'Zn']
-160.564552
-2.361243
44
-236.8198
-236.81978
-229.26888
-236.41061
mp-556865
-236.942099
36
['Na' 'Na' 'Na' 'Na' 'Be' 'Be' 'Be' 'Be' 'Be' 'Be' 'Be' 'Be' 'B' 'B' 'B' 'B' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F']
-100.133778
-2.781494
45
-92.265144
-92.26515
-91.17169
-92.22299
agm002175492
-92.624869
12
['O' 'O' 'O' 'O' 'O' 'O' 'O' 'Nb' 'Nb' 'Cu' 'Br' 'Sm']
-27.039152
-2.253263
46
-585.0501
-585.0501
-578.8221
-585.69775
mp-1219029
-586.744302
84
['Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'Br' 'Br' 'Br' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'F']
-243.229745
-2.895592
47
-24.295712
-24.295713
-24.348097
-24.3939
agm002061480
-24.716368
5
['Sb' 'F' 'Sn' 'Br' 'Tc']
-2.627424
-0.525485
48
-198.2704
-198.2704
-197.9733
-199.202
agm001234317
-199.614834
48
['Pb' 'Pb' 'Pb' 'Pb' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'C' 'C' 'C' 'C' 'P' 'P' 'P' 'P' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H']
-22.510982
-0.468979
49
-360.95264
-360.95264
-364.74957
-365.9795
mp-558972
-368.486441
64
['K' 'K' 'K' 'K' 'B' 'B' 'B' 'B' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'N' 'N' 'N' 'N' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F']
-87.306973
-1.364171
50
-413.87192
-413.87192
-396.48032
-414.05447
oqmd-9872890
-376.952
56
['B' 'B' 'B' 'B' 'C' 'C' 'C' 'C' 'Gd' 'Gd' 'Gd' 'Gd' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-63.81302
-1.139518
51
-545.54504
-545.54504
-519.73193
-549.91266
mp-1195276
-550.455097
104
['Li' 'Li' 'B' 'B' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N']
-14.029029
-0.134895
52
-841.6134
-841.6134
-816.408
-842.5394
mp-758842
-842.210468
136
['Nb' 'Nb' 'Nb' 'Nb' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'N' 'N' 'N' 'N' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-152.515816
-1.12144
53
-532.2544
-532.2544
-500.58307
-535.60394
mp-1203912
-535.386763
96
['P' 'P' 'P' 'P' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'N' 'N' 'N' 'N' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-63.159416
-0.657911
54
-453.63507
-453.63507
-429.25565
-456.983
mp-2646922
-456.737271
100
['Tm' 'Tm' 'Tm' 'Tm' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'S' 'S' 'S' 'S']
-23.796271
-0.237963
55
-235.17036
-235.17036
-229.66913
-236.81543
mp-1200372
-236.779509
40
['H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'C' 'C' 'C' 'C' 'S' 'S' 'S' 'S' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-22.597792
-0.564945
56
-363.3808
-363.3808
-336.18085
-368.7083
oqmd-9910219
-368.977
66
['C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'N' 'N' 'N' 'N' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'Zn' 'Zn']
-23.423208
-0.354897
57
-587.52686
-587.52686
-566.638
-591.96796
mp-570584
-592.556624
108
['Ta' 'Ta' 'Si' 'Si' 'Si' 'Si' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'C' 'N' 'N' 'N' 'N' 'N' 'N' 'N' 'N']
-21.122333
-0.195577
58
-621.57806
-621.5781
-587.8511
-621.66974
mp-720718
-621.563707
104
['Ca' 'Ca' 'Mg' 'Mg' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-166.604091
-1.601962
59
-1,106.5808
-1,106.5809
-1,059.3157
-1,106.6323
agm005262394
-1,106.01915
160
['Na' 'Na' 'Na' 'Na' 'Ca' 'Ca' 'Ca' 'Ca' 'Ca' 'Ca' 'Ca' 'Ca' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-338.814787
-2.117592
60
-402.36484
-402.3648
-389.6297
-402.50476
mp-726398
-403.234388
52
['Ca' 'Ca' 'Ca' 'Ca' 'Ca' 'Ca' 'Y' 'Y' 'Mn' 'Mn' 'Mn' 'Mn' 'Mn' 'Mn' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-121.073845
-2.328343
61
-34.073177
-34.073174
-33.927135
-34.230064
agm002047025
-34.45006
5
['P' 'C' 'Mn' 'Se' 'N']
1.194064
0.238813
62
-850.47986
-850.47986
-836.80475
-850.7692
mp-2714953
-851.495949
126
['Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Ca' 'Ca' 'Ca' 'Ca' 'Ca' 'Ca' 'Ca' 'Ca' 'Ca' 'Hf' 'Hf' 'Hf' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-317.108131
-2.516731
63
-1,084.6882
-1,084.6882
-1,070.4768
-1,086.1287
mp-1099877
-1,091.930275
144
['Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Sr' 'Ca' 'Ca' 'Ca' 'Ca' 'Ca' 'Ca' 'Ca' 'Ca' 'Ca' 'Ca' 'Ca' 'Ca' 'Ca' 'Ca' 'Ca' 'Ca' 'Ti' 'Ti' 'Ti' 'Ti' 'Ti' 'Ti' 'Ti' 'Ti' 'Ti' 'Ti' 'Ti' 'Ti' 'Ti' 'Ti' 'Ti' 'Ti' 'Mn' 'Mn' 'Mn' 'Mn' 'Mn' 'Mn' 'Mn' 'Mn' 'Mn' 'Mn' 'Mn' 'Mn' 'Mn' 'Mn' 'Mn' 'Mn' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-363.212651
-2.52231
64
-11.872097
-11.872096
-11.951944
-11.899757
oqmd-4934785
-12.1775
3
['Bi' 'Li' 'Pm']
-1.632097
-0.544032
65
-11.159617
-11.159617
-11.063095
-11.114978
agm003876573
-11.487778
4
['Tl' 'Al' 'Al' 'In']
1.115474
0.278869
66
-477.1848
-477.1848
-479.44406
-482.3511
agm005255197
-481.552158
88
['Na' 'Na' 'Na' 'Na' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'B' 'B' 'B' 'B' 'I' 'I' 'I' 'I' 'I' 'I' 'I' 'I' 'I' 'I' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl']
-143.713948
-1.633113
67
-474.63153
-474.63153
-477.0597
-479.76105
agm005286487
-479.077792
86
['Sr' 'Sr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'Zr' 'B' 'B' 'B' 'B' 'I' 'I' 'I' 'I' 'I' 'I' 'I' 'I' 'I' 'I' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl']
-143.226284
-1.665422
68
-785.25745
-785.2575
-789.6146
-793.29297
mp-1201123
-791.341532
152
['Rb' 'Rb' 'Rb' 'Rb' 'Rb' 'Rb' 'Rb' 'Rb' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'S' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'Cl' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-149.024603
-0.980425
69
-25.192799
-25.192797
-24.804028
-25.233736
agm002696822
-25.288507
4
['Mg' 'Os' 'Os' 'Bi']
2.656285
0.664071
70
-12.660842
-12.660842
-12.686943
-12.653187
agm001214783
-12.842787
4
['Sr' 'Mg' 'Bi' 'Bi']
-1.79308
-0.44827
71
-198.30045
-198.30045
-189.5189
-198.39084
agm003235764
-197.871728
28
['Li' 'Li' 'Li' 'Li' 'Nb' 'Nb' 'Cr' 'Cr' 'Cr' 'Co' 'Co' 'Co' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-40.208563
-1.43602
72
-8.439976
-8.439976
-8.47903
-8.500371
agm004169745
-8.740903
4
['Pb' 'K' 'K' 'Al']
0.930663
0.232666
73
-10.732208
-10.732208
-10.72259
-10.689814
agm001994212
-11.033925
4
['Mg' 'Mg' 'Tb' 'Bi']
0.685963
0.171491
74
-225.34363
-225.34364
-219.1603
-224.84464
mp-770633
-224.366677
34
['Rb' 'Rb' 'Li' 'Li' 'Li' 'Li' 'Co' 'Co' 'Co' 'Co' 'B' 'B' 'B' 'B' 'B' 'B' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-56.914205
-1.673947
75
-361.6775
-361.67752
-350.21854
-361.33017
mp-780413
-359.846866
58
['Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Na' 'Co' 'Co' 'Co' 'Co' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'S' 'S' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-94.990033
-1.637759
76
-25.934334
-25.934334
-25.835686
-25.936754
agm002163307
-26.045683
4
['Pr' 'Sr' 'N' 'N']
-2.893767
-0.723442
77
-241.88794
-241.88794
-234.13554
-242.30957
mp-770630
-242.183825
34
['Rb' 'Rb' 'Li' 'Li' 'Li' 'Li' 'Cr' 'Cr' 'Cr' 'Cr' 'B' 'B' 'B' 'B' 'B' 'B' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-64.546828
-1.898436
78
-33.253834
-33.25383
-33.097492
-33.27246
agm004102106
-33.507903
4
['Co' 'La' 'Ta' 'Ta']
2.234523
0.558631
79
-352.3675
-352.3675
-345.23315
-352.4152
mp-1194524
-352.911443
52
['K' 'K' 'K' 'K' 'Fe' 'Fe' 'Fe' 'Fe' 'Co' 'Co' 'Co' 'Co' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'P' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-84.218346
-1.619584
80
-278.79263
-278.7926
-274.50122
-278.4032
mp-776059
-278.445304
36
['Ti' 'Ti' 'Ti' 'Nb' 'Co' 'Co' 'P' 'P' 'P' 'P' 'P' 'P' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-78.88527
-2.191257
81
-238.76427
-238.76425
-233.21852
-238.83675
agm003242496
-239.072563
34
['Na' 'Na' 'Na' 'Na' 'Er' 'Er' 'Er' 'Er' 'B' 'B' 'B' 'B' 'Te' 'Te' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-83.286969
-2.449617
82
-386.84732
-386.84732
-368.13046
-387.332
mp-730585
-389.413403
72
['Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'B' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'H' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F' 'F']
-165.392537
-2.297119
83
-106.444954
-106.444954
-105.4672
-106.59061
agm003297120
-107.063422
12
['Sm' 'Sm' 'Sm' 'Tc' 'Tc' 'Tc' 'Tc' 'Tc' 'Tc' 'Tc' 'Tc' 'Tc']
0.387932
0.032328
84
-12.000741
-12.000741
-12.023964
-12.018852
agm005262321
-12.034745
2
['Sm' 'Th']
0.104232
0.052116
85
-11.768039
-11.768039
-11.71912
-11.712229
agm002357240
-12.282692
4
['Tl' 'Tl' 'Tl' 'Sm']
-0.464727
-0.116182
86
-22.990213
-22.990213
-22.157011
-22.694218
agm002846369
-23.152721
8
['Mg' 'Mg' 'Bi' 'Bi' 'Bi' 'Bi' 'Li' 'Li']
-0.592561
-0.07407
87
-29.4119
-29.4119
-29.294048
-29.673347
agm005491527
-29.08005
8
['Al' 'Al' 'Al' 'Al' 'Al' 'Al' 'Al' 'Sb']
1.245222
0.155653
88
-250.6068
-250.6068
-242.58214
-250.8223
mp-778494
-251.145764
36
['Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Mn' 'Fe' 'Fe' 'Fe' 'Fe' 'Fe' 'B' 'B' 'B' 'B' 'B' 'B' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-58.81473
-1.633742
89
-32.491657
-32.491657
-32.606323
-32.729572
agm002125360
-32.917488
5
['Ti' 'Cr' 'Te' 'P' 'S']
-2.68417
-0.536834
90
-67.030106
-67.030106
-66.744316
-66.65439
agm005523929
-66.715398
18
['Sb' 'Sb' 'Sb' 'Sb' 'Sb' 'Sb' 'Sb' 'Sb' 'Al' 'Al' 'Al' 'Al' 'Al' 'Al' 'Al' 'Al' 'Al' 'Al']
3.728981
0.207166
91
-255.52634
-255.52634
-248.02225
-255.72246
mp-775261
-256.105918
36
['Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Mn' 'Mn' 'Mn' 'Fe' 'Fe' 'Fe' 'B' 'B' 'B' 'B' 'B' 'B' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-62.374558
-1.732627
92
-253.0641
-253.0641
-245.3226
-253.27855
mp-774373
-253.61752
36
['Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Mn' 'Mn' 'Fe' 'Fe' 'Fe' 'Fe' 'B' 'B' 'B' 'B' 'B' 'B' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-60.586323
-1.682953
93
-257.97473
-257.97473
-250.70479
-258.17114
mp-780297
-258.590034
36
['Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Mn' 'Mn' 'Mn' 'Mn' 'Fe' 'Fe' 'B' 'B' 'B' 'B' 'B' 'B' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-64.158511
-1.782181
94
-257.97513
-257.97513
-250.74762
-258.16913
mp-779006
-258.59203
36
['Li' 'Li' 'Li' 'Li' 'Li' 'Li' 'Mn' 'Mn' 'Mn' 'Mn' 'Fe' 'Fe' 'B' 'B' 'B' 'B' 'B' 'B' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-64.160508
-1.782236
95
-232.31026
-232.31027
-226.7761
-232.20638
mp-770709
-232.460722
34
['Rb' 'Rb' 'Li' 'Li' 'Li' 'Li' 'Fe' 'Fe' 'Fe' 'Fe' 'B' 'B' 'B' 'B' 'B' 'B' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O' 'O']
-59.563239
-1.75186
96
-18.287228
-18.287226
-18.2439
-18.2447
oqmd-4119294
-18.4055
4
['Al' 'Al' 'Sm' 'Sm']
-1.482084
-0.370521
97
-39.637054
-39.637054
-39.061413
-39.369194
agm002135537
-39.539455
4
['Al' 'Ta' 'Ta' 'Ta']
-0.238837
-0.059709
98
-41.887012
-41.887012
-41.87642
-41.84839
oqmd-7440621
-41.9908
12
['Cs' 'Cs' 'Cu' 'Cu' 'Pb' 'Pb' 'S' 'S' 'Te' 'Te' 'Te' 'Te']
-3.842768
-0.320231
99
-50.650047
-50.650047
-50.740685
-50.57781
oqmd-4911830
-50.3804
12
['Cs' 'Cs' 'Cu' 'Cu' 'Pt' 'Pt' 'S' 'S' 'S' 'S' 'Se' 'Se']
-4.87374
-0.406145
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