material_id
stringlengths 6
10
| formula_pretty
stringlengths 3
24
| n_elements
int64 2
8
| contains_transition_metal
bool 2
classes | formation_energy_per_atom
float64 -2.33
7.95
| energy_per_atom
float64 -16.62
2.06
| band_gap
float64 -0.87
5.03
| is_semiconductor
bool 2
classes | density
float64 -2.48
10.3
| volume
float64 -1.19
19.9
| elements
stringlengths 11
46
|
|---|---|---|---|---|---|---|---|---|---|---|
mp-1232999
|
LiO8
| 2
| false
| 1.720359
| 0.654797
| -0.765226
| false
| -1.181862
| -0.911997
|
['Li', 'O']
|
mp-1236127
|
LiO8
| 2
| false
| 1.719137
| 0.654475
| -0.808019
| false
| -1.237528
| -0.897719
|
['Li', 'O']
|
mp-1546006
|
LiS4
| 2
| false
| 1.90253
| 0.036938
| 0.626478
| true
| -2.352166
| 4.289055
|
['Li', 'S']
|
mp-995393
|
LiS4
| 2
| false
| 1.499043
| 0.862733
| 0.620655
| true
| -2.367226
| 4.875701
|
['Li', 'S']
|
mp-569073
|
LiSn
| 2
| false
| 1.813196
| 1.158327
| -0.868213
| false
| 0.894787
| -0.882882
|
['Li', 'Sn']
|
mp-1001825
|
LiBe
| 2
| false
| 2.35539
| 1.340512
| -0.868213
| false
| -1.715112
| -1.109235
|
['Be', 'Li']
|
mp-2475638
|
LiBe
| 2
| false
| 2.350128
| 1.339125
| -0.868213
| false
| -1.734839
| -1.10595
|
['Be', 'Li']
|
mp-1057216
|
LiS
| 2
| false
| 1.208599
| 0.980194
| -0.868213
| false
| -1.217245
| -1.141286
|
['Li', 'S']
|
mp-1103120
|
LiB11
| 2
| false
| 2.890774
| 0.289526
| -0.868213
| false
| -0.819361
| -0.999194
|
['B', 'Li']
|
mp-1101854
|
LiB11
| 2
| false
| 2.98076
| 0.313258
| -0.868213
| false
| -0.832948
| -0.997257
|
['B', 'Li']
|
mp-1094135
|
LiO2
| 2
| false
| 1.281536
| 0.735016
| -0.868213
| false
| -0.937244
| -1.079202
|
['Li', 'O']
|
mp-1094600
|
LiMg2
| 2
| false
| 2.141169
| 1.066134
| -0.868213
| false
| -1.553933
| -0.865001
|
['Li', 'Mg']
|
mp-1094568
|
LiMg
| 2
| false
| 2.13725
| 1.151303
| -0.868213
| false
| -1.681603
| -0.995881
|
['Li', 'Mg']
|
mp-1235252
|
LiO8
| 2
| false
| 1.712021
| 0.652599
| -0.868213
| false
| -1.1739
| -0.913942
|
['Li', 'O']
|
mp-1236522
|
LiO8
| 2
| false
| 1.778937
| 0.670246
| -0.683569
| false
| -1.320927
| -0.873825
|
['Li', 'O']
|
mp-2659
|
LiN3
| 2
| false
| 1.945267
| -0.107861
| 1.593981
| true
| -1.218036
| -1.11649
|
['Li', 'N']
|
mp-973455
|
LiMg2
| 2
| false
| 2.122085
| 1.061101
| -0.868213
| false
| -1.516274
| -0.879155
|
['Li', 'Mg']
|
mp-976262
|
LiMg
| 2
| false
| 2.126592
| 1.148492
| -0.868213
| false
| -1.657806
| -0.884906
|
['Li', 'Mg']
|
mp-1180520
|
LiS
| 2
| false
| 1.101484
| 0.951945
| -0.5774
| false
| -1.423688
| -0.777006
|
['Li', 'S']
|
mp-1180489
|
LiN
| 2
| false
| 3.229273
| 0.719815
| -0.868213
| false
| -1.605512
| -0.940665
|
['Li', 'N']
|
mp-1094673
|
LiMg
| 2
| false
| 2.115034
| 1.145444
| -0.868213
| false
| -1.653778
| -1.120956
|
['Li', 'Mg']
|
mp-1222412
|
LiB3
| 2
| false
| 1.993844
| 0.292818
| -0.781409
| false
| -1.329246
| -1.024032
|
['B', 'Li']
|
mp-22902
|
LiBi
| 2
| false
| 1.714962
| -6.842357
| -0.868213
| false
| 2.521936
| -1.100466
|
['Bi', 'Li']
|
mp-1222413
|
LiB3
| 2
| false
| 1.857575
| 0.25688
| -0.805988
| false
| -1.319208
| -0.813528
|
['B', 'Li']
|
mp-1094567
|
LiMg3
| 2
| false
| 2.156854
| 1.027169
| -0.868213
| false
| -1.498359
| -0.984691
|
['Li', 'Mg']
|
mp-1183341
|
Ba3Li
| 2
| false
| 2.295637
| 1.588122
| -0.868213
| false
| -0.39193
| -0.603375
|
['Ba', 'Li']
|
mp-1184918
|
K3Li
| 2
| false
| 2.306483
| 0.664277
| -0.868213
| false
| -1.915281
| -0.566985
|
['K', 'Li']
|
mp-1185411
|
LiEu3
| 2
| false
| 2.277938
| -6.416169
| -0.868213
| false
| 0.806411
| -0.790316
|
['Eu', 'Li']
|
mp-1185266
|
LiNi3
| 2
| true
| 2.240279
| -0.650894
| -0.868213
| false
| 2.331506
| -1.116854
|
['Li', 'Ni']
|
mp-1185337
|
LiHg3
| 2
| false
| 1.965002
| -8.859105
| -0.868213
| false
| 5.15556
| -0.983371
|
['Hg', 'Li']
|
mp-1185469
|
LiYb3
| 2
| false
| 2.411686
| -5.947523
| -0.868213
| false
| 2.708865
| -0.914721
|
['Li', 'Yb']
|
mp-1185275
|
LiPb3
| 2
| false
| 2.044572
| 1.131587
| -0.868213
| false
| 3.732772
| -0.915105
|
['Li', 'Pb']
|
mp-1185471
|
LiTb3
| 2
| false
| 2.37216
| -4.80397
| -0.868213
| false
| 2.114161
| -0.9025
|
['Li', 'Tb']
|
mp-1185257
|
LiY3
| 2
| false
| 2.384513
| -2.425963
| -0.868213
| false
| 0.0347
| -0.893031
|
['Li', 'Y']
|
mp-1185332
|
LiGa3
| 2
| false
| 1.997442
| -0.597658
| -0.868213
| false
| 1.212184
| -1.051844
|
['Ga', 'Li']
|
mp-1185336
|
LiGe3
| 2
| false
| 2.17784
| 0.968625
| -0.868213
| false
| 0.934697
| -1.028681
|
['Ge', 'Li']
|
mp-1185253
|
LiTl3
| 2
| false
| 2.08245
| -9.657554
| -0.868213
| false
| 4.076179
| -0.936068
|
['Li', 'Tl']
|
mp-1185455
|
LiRh3
| 2
| false
| 2.085223
| -3.336739
| -0.868213
| false
| 3.886167
| -1.079806
|
['Li', 'Rh']
|
mp-1185461
|
LiSn3
| 2
| false
| 2.029592
| 1.063023
| -0.868213
| false
| 1.59274
| -0.95419
|
['Li', 'Sn']
|
mp-1185431
|
LiSi3
| 2
| false
| 2.431998
| 0.861067
| -0.868213
| false
| -0.720244
| -1.0746
|
['Li', 'Si']
|
mp-862716
|
LiAg3
| 2
| false
| 2.030007
| -2.746266
| -0.868213
| false
| 3.029644
| -1.046696
|
['Ag', 'Li']
|
mp-865939
|
LiMg2
| 2
| false
| 2.110372
| 1.058012
| -0.868213
| false
| -1.508842
| -1.059986
|
['Li', 'Mg']
|
mp-862658
|
LiCu3
| 2
| false
| 2.159303
| -0.425279
| -0.868213
| false
| 2.226627
| -1.104306
|
['Cu', 'Li']
|
mp-972285
|
Sr3Li
| 2
| false
| 2.275894
| -1.33001
| -0.868213
| false
| -0.942561
| -0.685635
|
['Li', 'Sr']
|
mp-973748
|
LiIn3
| 2
| false
| 1.955922
| -3.03188
| -0.868213
| false
| 1.728982
| -0.972157
|
['In', 'Li']
|
mp-973741
|
LiHo3
| 2
| false
| 2.389656
| -5.159482
| -0.868213
| false
| 2.303199
| -0.903675
|
['Ho', 'Li']
|
mp-974959
|
Rb3Li
| 2
| false
| 2.334174
| 1.802501
| -0.868213
| false
| -1.459983
| -0.432883
|
['Li', 'Rb']
|
mp-975906
|
LiAl3
| 2
| false
| 2.086349
| 0.450883
| -0.868213
| false
| -0.981903
| -1.053536
|
['Al', 'Li']
|
mp-975909
|
LiAu3
| 2
| false
| 1.756402
| -9.178985
| -0.868213
| false
| 7.583201
| -1.048112
|
['Au', 'Li']
|
mp-976272
|
LiCa3
| 2
| false
| 2.248883
| 0.427117
| -0.868213
| false
| -1.569806
| -0.8038
|
['Ca', 'Li']
|
mp-7943
|
LiAs
| 2
| false
| 1.524574
| -0.539098
| -0.645787
| false
| 0.019958
| -0.407421
|
['As', 'Li']
|
mp-9588
|
LiP
| 2
| false
| 1.493265
| 0.280357
| -0.320103
| false
| -1.154608
| -0.519756
|
['Li', 'P']
|
mp-1018026
|
LiAg
| 2
| false
| 1.988883
| -1.381147
| -0.868213
| false
| 1.37445
| -1.04847
|
['Ag', 'Li']
|
mp-13444
|
LiSn
| 2
| false
| 1.813396
| 1.15838
| -0.868213
| false
| 0.815603
| -0.510693
|
['Li', 'Sn']
|
mp-8490
|
LiGe
| 2
| false
| 1.899521
| 1.092097
| -0.868213
| false
| 0.324561
| -0.697575
|
['Ge', 'Li']
|
mp-27687
|
LiP7
| 2
| false
| 1.961902
| -0.315838
| 0.274861
| true
| -1.045501
| 2.685459
|
['Li', 'P']
|
mp-1094570
|
LiMg2
| 2
| false
| 2.145128
| 1.067178
| -0.868213
| false
| -1.543609
| -0.868991
|
['Li', 'Mg']
|
mp-1094605
|
LiMg2
| 2
| false
| 2.146682
| 1.067588
| -0.868213
| false
| -1.550225
| -0.866444
|
['Li', 'Mg']
|
mp-1094592
|
LiMg
| 2
| false
| 2.159197
| 1.157091
| -0.868213
| false
| -1.692825
| -0.869751
|
['Li', 'Mg']
|
mp-1180507
|
LiB11
| 2
| false
| 2.29627
| 0.132738
| -0.868213
| false
| -0.911772
| -0.98537
|
['B', 'Li']
|
mp-1094559
|
LiMg2
| 2
| false
| 2.161595
| 1.071521
| -0.868213
| false
| -1.56691
| -0.859862
|
['Li', 'Mg']
|
mp-1094853
|
LiMg
| 2
| false
| 2.161993
| 1.157828
| -0.868213
| false
| -1.704335
| -0.989038
|
['Li', 'Mg']
|
mp-2750540
|
LiTe3
| 2
| false
| 1.676715
| -3.723232
| -0.523164
| false
| 1.116329
| 2.900328
|
['Li', 'Te']
|
mp-1094129
|
LiO2
| 2
| false
| 1.583668
| 0.814697
| -0.818108
| false
| -1.013466
| -1.154626
|
['Li', 'O']
|
mp-1094578
|
LiMg
| 2
| false
| 2.146611
| 1.153772
| -0.868213
| false
| -1.684543
| -1.116583
|
['Li', 'Mg']
|
mp-1222403
|
LiAu
| 2
| false
| 1.703458
| -5.696796
| -0.868213
| false
| 4.505102
| -1.144889
|
['Au', 'Li']
|
mp-1105976
|
LiB9
| 2
| false
| 2.190055
| 0.12871
| -0.868213
| false
| -0.892386
| -0.824462
|
['B', 'Li']
|
mp-1185319
|
LiCl
| 2
| false
| -0.052796
| 0.286025
| 3.016493
| true
| -1.399572
| -0.992997
|
['Cl', 'Li']
|
mp-1185301
|
LiF
| 2
| false
| -1.309842
| 0.393559
| -0.868213
| false
| -1.033058
| -1.125395
|
['F', 'Li']
|
mp-570935
|
LiI
| 2
| false
| 0.6069
| 1.200782
| 2.098689
| true
| -0.230658
| -0.861239
|
['I', 'Li']
|
mp-976280
|
LiBr
| 2
| false
| 0.151901
| 1.064402
| 2.473123
| true
| -0.568732
| -0.950984
|
['Br', 'Li']
|
mp-1023493
|
LiMg15
| 2
| false
| 2.173918
| 0.934691
| -0.868213
| false
| -1.352237
| -0.207917
|
['Li', 'Mg']
|
mp-1016274
|
LiMg7
| 2
| false
| 2.165967
| 0.96492
| -0.868213
| false
| -1.39215
| -0.729562
|
['Li', 'Mg']
|
mp-1094580
|
LiMg
| 2
| false
| 2.163188
| 1.158143
| -0.868213
| false
| -1.705418
| -0.863979
|
['Li', 'Mg']
|
mp-1094581
|
LiMg2
| 2
| false
| 2.152895
| 1.069226
| -0.868213
| false
| -1.550607
| -0.866296
|
['Li', 'Mg']
|
mp-1094588
|
LiMg5
| 2
| false
| 2.159742
| 0.984829
| -0.868213
| false
| -1.427445
| -0.857137
|
['Li', 'Mg']
|
mp-11807
|
LiPt
| 2
| false
| 1.451203
| -5.894289
| -0.868213
| false
| 5.721978
| -1.15941
|
['Li', 'Pt']
|
mp-1094665
|
LiMg3
| 2
| false
| 2.149187
| 1.025147
| -0.868213
| false
| -1.487656
| -0.987347
|
['Li', 'Mg']
|
mp-1094982
|
LiMg
| 2
| false
| 2.151383
| 1.15503
| -0.868213
| false
| -1.684513
| -1.116588
|
['Li', 'Mg']
|
mp-1185249
|
LiU
| 2
| false
| 2.546163
| -9.733493
| -0.868213
| false
| 4.381353
| -1.124096
|
['Li', 'U']
|
mp-1185271
|
LiPa
| 2
| false
| 2.478795
| -9.30356
| -0.868213
| false
| 3.313153
| -1.107024
|
['Li', 'Pa']
|
mp-1185402
|
LiMn
| 2
| true
| 2.586085
| -0.255637
| -0.868213
| false
| 0.112926
| -1.16244
|
['Li', 'Mn']
|
mp-1222405
|
LiCd3
| 2
| false
| 2.051958
| -2.46827
| -0.868213
| false
| 2.232908
| -1.005309
|
['Cd', 'Li']
|
mp-1222288
|
LiZn3
| 2
| false
| 2.077165
| -0.025605
| -0.868213
| false
| 1.258154
| -1.065138
|
['Li', 'Zn']
|
mp-279
|
LiIr
| 2
| false
| 1.859155
| -5.913152
| -0.868213
| false
| 5.816464
| -1.161408
|
['Ir', 'Li']
|
mp-866755
|
LiMg149
| 2
| false
| 2.17946
| 0.907275
| -0.481794
| false
| -1.309758
| 8.467177
|
['Li', 'Mg']
|
mp-2744
|
LiPd
| 2
| false
| 1.713313
| -1.686605
| -0.868213
| false
| 2.081147
| -1.158923
|
['Li', 'Pd']
|
mp-600561
|
LiRh
| 2
| false
| 1.967067
| -1.790257
| -0.868213
| false
| 2.115964
| -1.161957
|
['Li', 'Rh']
|
mp-973948
|
LiHf
| 2
| false
| 2.525858
| -4.691641
| -0.868213
| false
| 2.457262
| -1.118369
|
['Hf', 'Li']
|
mp-1094156
|
LiMg2
| 2
| false
| 2.149798
| 1.068409
| -0.868213
| false
| -1.546988
| -0.867694
|
['Li', 'Mg']
|
mp-1094558
|
LiMg5
| 2
| false
| 2.155133
| 0.983614
| -0.868213
| false
| -1.425037
| -0.857983
|
['Li', 'Mg']
|
mp-1021323
|
LiC12
| 2
| false
| 2.166692
| -0.404133
| -0.868213
| false
| -1.00451
| -0.916043
|
['C', 'Li']
|
mp-1001581
|
LiC6
| 2
| false
| 2.169697
| -0.263309
| -0.868213
| false
| -1.013527
| -1.068681
|
['C', 'Li']
|
mp-1001835
|
LiB
| 2
| false
| 1.924511
| 0.634291
| -0.868213
| false
| -1.594908
| -1.113561
|
['B', 'Li']
|
mp-1025406
|
LiP3
| 2
| false
| 2.497853
| 0.065437
| -0.868213
| false
| -0.733268
| -0.877346
|
['Li', 'P']
|
mp-1078753
|
LiTl
| 2
| false
| 2.0843
| -5.972728
| -0.868213
| false
| 2.140099
| -0.654873
|
['Li', 'Tl']
|
mp-1079240
|
LiAl
| 2
| false
| 2.037642
| 0.753239
| -0.868213
| false
| -1.496737
| -0.808166
|
['Al', 'Li']
|
mp-1079267
|
LiHg3
| 2
| false
| 1.950778
| -8.862857
| -0.868213
| false
| 5.266796
| -0.735883
|
['Hg', 'Li']
|
mp-1094582
|
LiMg2
| 2
| false
| 2.152485
| 1.069118
| -0.868213
| false
| -1.556146
| -0.864134
|
['Li', 'Mg']
|
mp-1094602
|
LiMg3
| 2
| false
| 2.145283
| 1.024117
| -0.868213
| false
| -1.481549
| -0.739525
|
['Li', 'Mg']
|
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