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-1185338
|
LiCu3
| 2
| false
| 2.16855
| -0.42284
| -0.868213
| false
| 2.22823
| -0.970553
|
['Cu', 'Li']
|
mp-1185352
|
LiGa3
| 2
| false
| 2.008059
| -0.594858
| -0.868213
| false
| 1.184459
| -0.862742
|
['Ga', 'Li']
|
mp-1185348
|
LiF3
| 2
| false
| 0.582402
| 0.838969
| -0.868213
| false
| -0.705034
| -1.010762
|
['F', 'Li']
|
mp-1185345
|
LiEr3
| 2
| false
| 2.3749
| -5.390579
| -0.868213
| false
| 2.452294
| -0.58027
|
['Er', 'Li']
|
mp-1185355
|
LiEu3
| 2
| false
| 2.262014
| -6.420368
| -0.868213
| false
| 0.793531
| -0.33899
|
['Eu', 'Li']
|
mp-1185470
|
LiYb3
| 2
| false
| 2.357565
| -5.961796
| -0.868213
| false
| 2.720907
| -0.592782
|
['Li', 'Yb']
|
mp-1185342
|
LiAg3
| 2
| false
| 2.039093
| -2.74387
| -0.868213
| false
| 3.009052
| -0.853813
|
['Ag', 'Li']
|
mp-1185384
|
LiHo3
| 2
| false
| 2.377258
| -5.162751
| -0.868213
| false
| 2.291453
| -0.567565
|
['Ho', 'Li']
|
mp-1185340
|
LiDy3
| 2
| false
| 2.380478
| -4.966152
| -0.868213
| false
| 2.1796
| -0.561545
|
['Dy', 'Li']
|
mp-1185333
|
LiAu3
| 2
| false
| 1.757542
| -9.178684
| -0.868213
| false
| 7.623134
| -0.859573
|
['Au', 'Li']
|
mp-1185350
|
LiCa3
| 2
| false
| 2.246368
| 0.426453
| -0.868213
| false
| -1.597182
| -0.343373
|
['Ca', 'Li']
|
mp-1185477
|
LiTe3
| 2
| false
| 1.676719
| 1.158469
| -0.868213
| false
| 0.883164
| -0.500994
|
['Li', 'Te']
|
mp-1185526
|
LiGd3
| 2
| false
| 2.330609
| -7.463374
| -0.868213
| false
| 1.920238
| -0.54474
|
['Gd', 'Li']
|
mp-1187126
|
Sr3Li
| 2
| false
| 2.250927
| -1.336594
| -0.868213
| false
| -0.916575
| -0.151153
|
['Li', 'Sr']
|
mp-1206724
|
LiAs3
| 2
| false
| 2.169514
| -1.262723
| -0.868213
| false
| 0.93192
| -0.806111
|
['As', 'Li']
|
mp-568273
|
LiI
| 2
| false
| 0.638654
| 1.209157
| 1.997192
| true
| 0.266241
| -0.928721
|
['I', 'Li']
|
mp-865612
|
LiCd3
| 2
| false
| 1.959705
| -2.4926
| -0.868213
| false
| 2.363522
| -0.784951
|
['Cd', 'Li']
|
mp-972125
|
LiTb3
| 2
| false
| 2.381653
| -4.801466
| -0.868213
| false
| 2.018586
| -0.55268
|
['Li', 'Tb']
|
mp-973493
|
LiLu3
| 2
| false
| 2.365519
| -6.297104
| -0.868213
| false
| 2.873736
| -0.604214
|
['Li', 'Lu']
|
mp-973415
|
LiLa3
| 2
| false
| 2.331169
| -4.492356
| -0.868213
| false
| 1.151399
| -0.495563
|
['La', 'Li']
|
mp-975799
|
LiZn3
| 2
| false
| 1.996505
| -0.046877
| -0.868213
| false
| 1.582653
| -0.919569
|
['Li', 'Zn']
|
mp-975321
|
LiSi3
| 2
| false
| 2.417514
| 0.857247
| -0.868213
| false
| -0.778875
| -0.899967
|
['Li', 'Si']
|
mp-975649
|
LiTm3
| 2
| false
| 2.37156
| -5.651638
| -0.868213
| false
| 2.557669
| -0.587588
|
['Li', 'Tm']
|
mp-1059612
|
LiN
| 2
| false
| 3.262674
| 0.728624
| -0.868213
| false
| -1.599571
| -1.164264
|
['Li', 'N']
|
mp-1103613
|
LiB11
| 2
| false
| 2.444214
| 0.171755
| -0.868213
| false
| -0.877779
| -0.990637
|
['B', 'Li']
|
mp-1103394
|
LiB11
| 2
| false
| 3.029457
| 0.326101
| -0.868213
| false
| -0.853705
| -0.994237
|
['B', 'Li']
|
mp-1009009
|
LiF
| 2
| false
| -1.020346
| 0.469907
| 4.250163
| false
| -0.792257
| -1.18968
|
['F', 'Li']
|
mp-1058798
|
LiBe
| 2
| false
| 2.574353
| 1.398259
| -0.868213
| false
| -1.712128
| -1.173933
|
['Be', 'Li']
|
mp-1094670
|
LiMg3
| 2
| false
| 2.163084
| 1.028812
| -0.868213
| false
| -1.476513
| -0.990053
|
['Li', 'Mg']
|
mp-10890
|
LiAl3
| 2
| false
| 2.069072
| 0.446327
| -0.868213
| false
| -0.980313
| -1.053728
|
['Al', 'Li']
|
mp-1094889
|
LiMg
| 2
| false
| 2.121435
| 1.147132
| -0.868213
| false
| -1.638642
| -1.122994
|
['Li', 'Mg']
|
mp-11248
|
LiAu3
| 2
| false
| 1.75174
| -9.180214
| -0.868213
| false
| 7.640912
| -1.049192
|
['Au', 'Li']
|
mp-1184845
|
K3Li
| 2
| false
| 2.301082
| 0.662853
| -0.868213
| false
| -1.926415
| -0.554161
|
['K', 'Li']
|
mp-1185395
|
LiPm3
| 2
| false
| 2.342976
| -4.444814
| -0.868213
| false
| 1.417209
| -0.877053
|
['Li', 'Pm']
|
mp-1185287
|
LiAc3
| 2
| false
| 2.355217
| -12.949482
| -0.868213
| false
| 2.239108
| -0.773351
|
['Ac', 'Li']
|
mp-1185429
|
LiTb3
| 2
| false
| 2.378679
| -4.802251
| -0.868213
| false
| 2.07398
| -0.899557
|
['Li', 'Tb']
|
mp-1185300
|
LiAg3
| 2
| false
| 2.039637
| -2.743727
| -0.868213
| false
| 3.033194
| -1.046818
|
['Ag', 'Li']
|
mp-1185312
|
LiCu3
| 2
| false
| 2.166085
| -0.42349
| -0.868213
| false
| 2.22042
| -1.10413
|
['Cu', 'Li']
|
mp-1185343
|
LiCe3
| 2
| false
| 2.463068
| -4.696039
| -0.868213
| false
| 1.949791
| -0.930725
|
['Ce', 'Li']
|
mp-1185406
|
LiPr3
| 2
| false
| 2.327623
| -4.419125
| -0.868213
| false
| 1.150804
| -0.86153
|
['Li', 'Pr']
|
mp-1185451
|
LiSm3
| 2
| false
| 2.351316
| -4.484463
| -0.868213
| false
| 1.656381
| -0.885402
|
['Li', 'Sm']
|
mp-1185237
|
LiW3
| 2
| false
| 2.715967
| -9.096273
| -0.868213
| false
| 7.669175
| -1.062129
|
['Li', 'W']
|
mp-1185240
|
LiY3
| 2
| false
| 2.389256
| -2.424712
| -0.868213
| false
| 0.041516
| -0.893953
|
['Li', 'Y']
|
mp-1185416
|
LiSb3
| 2
| false
| 2.102897
| -3.673745
| -0.868213
| false
| 1.518382
| -0.941659
|
['Li', 'Sb']
|
mp-1206794
|
LiAu
| 2
| false
| 1.552682
| -5.73656
| -0.868213
| false
| 5.206455
| -1.153366
|
['Au', 'Li']
|
mp-1211148
|
LiPb3
| 2
| false
| 2.471334
| 1.244137
| -0.868213
| false
| 2.510629
| -0.836454
|
['Li', 'Pb']
|
mp-2012
|
LiHg
| 2
| false
| 1.758006
| -5.505833
| -0.868213
| false
| 3.892232
| -1.134144
|
['Hg', 'Li']
|
mp-2314
|
LiPb
| 2
| false
| 1.872593
| 1.217068
| -0.868213
| false
| 2.91105
| -1.111404
|
['Li', 'Pb']
|
mp-2426
|
LiAg
| 2
| false
| 1.973178
| -1.385289
| -0.868213
| false
| 1.675208
| -1.150126
|
['Ag', 'Li']
|
mp-2743
|
LiPd
| 2
| false
| 1.736976
| -1.680364
| -0.868213
| false
| 2.343616
| -1.163208
|
['Li', 'Pd']
|
mp-861936
|
LiPd3
| 2
| false
| 1.887875
| -3.132924
| -0.868213
| false
| 3.834839
| -1.073193
|
['Li', 'Pd']
|
mp-861931
|
LiPt3
| 2
| false
| 1.642044
| -9.405594
| -0.868213
| false
| 8.978481
| -1.072771
|
['Li', 'Pt']
|
mp-863257
|
LiGa3
| 2
| false
| 1.901605
| -0.622933
| -0.868213
| false
| 1.044352
| -1.043045
|
['Ga', 'Li']
|
mp-863027
|
LiIn3
| 2
| false
| 1.939436
| -3.036228
| -0.868213
| false
| 1.791058
| -0.975997
|
['In', 'Li']
|
mp-934
|
LiTl
| 2
| false
| 1.890502
| -6.023838
| -0.868213
| false
| 3.25341
| -1.120502
|
['Li', 'Tl']
|
mp-973732
|
LiHo3
| 2
| false
| 2.391963
| -5.158873
| -0.868213
| false
| 2.338548
| -0.906114
|
['Ho', 'Li']
|
mp-973191
|
LiTl3
| 2
| false
| 2.076253
| -9.659188
| -0.868213
| false
| 4.128546
| -0.938451
|
['Li', 'Tl']
|
mp-974060
|
LiDy3
| 2
| false
| 2.385936
| -4.964713
| -0.868213
| false
| 2.212926
| -0.902234
|
['Dy', 'Li']
|
mp-974938
|
Rb3Li
| 2
| false
| 2.331396
| 1.801768
| -0.868213
| false
| -1.467071
| -0.427406
|
['Li', 'Rb']
|
mp-976424
|
LiLa3
| 2
| false
| 2.334234
| -4.491548
| -0.868213
| false
| 1.002135
| -0.851072
|
['La', 'Li']
|
mp-976599
|
LiHg3
| 2
| false
| 1.983176
| -8.854312
| -0.868213
| false
| 5.275758
| -0.987305
|
['Hg', 'Li']
|
mp-1079855
|
LiPd7
| 2
| false
| 1.99519
| -3.8508
| -0.868213
| false
| 4.602377
| -0.898967
|
['Li', 'Pd']
|
mp-1097725
|
LiO2
| 2
| false
| 1.687655
| 0.842121
| -0.868213
| false
| -0.771318
| -1.166264
|
['Li', 'O']
|
mp-1138
|
LiF
| 2
| false
| -1.336693
| 0.386477
| 5.033428
| false
| -0.817887
| -1.188945
|
['F', 'Li']
|
mp-1094603
|
LiMg3
| 2
| false
| 2.15054
| 1.025504
| -0.868213
| false
| -1.460978
| -0.260473
|
['Li', 'Mg']
|
mp-1184876
|
K3Li
| 2
| false
| 2.296362
| 0.661608
| -0.868213
| false
| -1.903503
| -0.580039
|
['K', 'Li']
|
mp-1185245
|
LiY3
| 2
| false
| 2.383912
| -2.426121
| -0.868213
| false
| 0.051186
| -0.895253
|
['Li', 'Y']
|
mp-1185480
|
LiPu3
| 2
| false
| 3.044207
| -16.623591
| -0.868213
| false
| 8.701185
| -1.026685
|
['Li', 'Pu']
|
mp-1185274
|
LiNp3
| 2
| false
| 2.655896
| -16.000891
| -0.868213
| false
| 10.034421
| -1.054532
|
['Li', 'Np']
|
mp-1185410
|
LiRe3
| 2
| false
| 2.399364
| -9.4067
| -0.868213
| false
| 8.520909
| -1.073656
|
['Li', 'Re']
|
mp-22899
|
LiI
| 2
| false
| 0.638519
| 1.209121
| 1.996312
| true
| 0.285719
| -1.084514
|
['I', 'Li']
|
mp-22905
|
LiCl
| 2
| false
| -0.056803
| 0.284968
| 3.36364
| true
| -1.077119
| -1.143175
|
['Cl', 'Li']
|
mp-23259
|
LiBr
| 2
| false
| 0.162788
| 1.067274
| 2.465404
| true
| -0.121434
| -1.121465
|
['Br', 'Li']
|
mp-23703
|
LiH
| 2
| false
| 1.633323
| 1.122013
| 1.150212
| true
| -1.964807
| -1.191299
|
['H', 'Li']
|
mp-30765
|
LiPt7
| 2
| false
| 1.839865
| -11.13424
| -0.868213
| false
| 10.329462
| -0.895185
|
['Li', 'Pt']
|
mp-32641
|
LiS
| 2
| false
| 1.341771
| 1.015316
| -0.868213
| false
| -1.143015
| -1.14655
|
['Li', 'S']
|
mp-865907
|
LiZn3
| 2
| false
| 1.990613
| -0.048431
| -0.868213
| false
| 1.620419
| -1.080316
|
['Li', 'Zn']
|
mp-973824
|
LiHg3
| 2
| false
| 1.979109
| -8.855385
| -0.868213
| false
| 5.183425
| -0.984294
|
['Hg', 'Li']
|
mp-973940
|
LiCd3
| 2
| false
| 1.977116
| -2.488008
| -0.868213
| false
| 2.364243
| -1.011584
|
['Cd', 'Li']
|
mp-974058
|
LiCu3
| 2
| false
| 2.187425
| -0.417862
| -0.868213
| false
| 2.205851
| -1.103716
|
['Cu', 'Li']
|
mp-974950
|
Rb3Li
| 2
| false
| 2.329603
| 1.801295
| -0.868213
| false
| -1.439067
| -0.448623
|
['Li', 'Rb']
|
mp-980190
|
LiYb3
| 2
| false
| 2.380122
| -5.955847
| -0.868213
| false
| 2.913589
| -0.926931
|
['Li', 'Yb']
|
mp-1193737
|
LiZn13
| 2
| false
| 2.109591
| -0.355069
| -0.868213
| false
| 1.860161
| 0.020708
|
['Li', 'Zn']
|
mp-1067
|
LiAl
| 2
| false
| 1.942344
| 0.728106
| -0.868213
| false
| -1.319829
| -1.055138
|
['Al', 'Li']
|
mp-1001831
|
LiB
| 2
| false
| 2.342064
| 0.744411
| 0.300794
| true
| -1.106348
| -1.156953
|
['B', 'Li']
|
mp-1211134
|
LiAl2
| 2
| false
| 2.421458
| 0.644328
| -0.868213
| false
| -1.283211
| -0.600627
|
['Al', 'Li']
|
mp-1211157
|
LiCa4
| 2
| false
| 2.515714
| 0.430005
| -0.868213
| false
| -1.597529
| -0.060944
|
['Ca', 'Li']
|
mp-1210887
|
LiGa2
| 2
| false
| 2.075007
| -0.358235
| -0.868213
| false
| 0.271313
| -0.56254
|
['Ga', 'Li']
|
mp-1210993
|
LiIn2
| 2
| false
| 2.096484
| -2.506591
| -0.868213
| false
| 1.12582
| -0.402969
|
['In', 'Li']
|
mp-1210982
|
LiZn2
| 2
| false
| 2.273043
| 0.183795
| -0.868213
| false
| 0.350572
| -0.619982
|
['Li', 'Zn']
|
mp-1222271
|
LiSi
| 2
| false
| 2.305502
| 1.082775
| -0.868213
| false
| -1.217542
| -1.064148
|
['Li', 'Si']
|
mp-1307
|
LiGa
| 2
| false
| 1.75378
| -0.005019
| -0.868213
| false
| 0.400324
| -1.069083
|
['Ga', 'Li']
|
mp-1437
|
LiCd
| 2
| false
| 1.868334
| -1.231468
| -0.868213
| false
| 1.070254
| -1.024206
|
['Cd', 'Li']
|
mp-1934
|
LiZn
| 2
| false
| 1.929552
| 0.408689
| -0.868213
| false
| 0.372151
| -1.077037
|
['Li', 'Zn']
|
mp-22460
|
LiIn
| 2
| false
| 1.768713
| -1.616596
| -0.868213
| false
| 0.906363
| -1.009419
|
['In', 'Li']
|
mp-30764
|
LiPt2
| 2
| false
| 1.626105
| -8.222586
| -0.868213
| false
| 6.272188
| -0.947998
|
['Li', 'Pt']
|
mp-27466
|
LiTe3
| 2
| false
| 1.404876
| 1.086776
| -0.716746
| false
| 1.106614
| 2.911447
|
['Li', 'Te']
|
mp-1016222
|
LiMg3
| 2
| false
| 2.149148
| 1.025137
| -0.868213
| false
| -1.485657
| -0.987837
|
['Li', 'Mg']
|
mp-2412
|
LiP5
| 2
| false
| 1.908707
| -0.24989
| 0.057581
| true
| -0.947605
| 0.091586
|
['Li', 'P']
|
mp-32760
|
LiP5
| 2
| false
| 2.006196
| -0.22418
| -0.491476
| false
| -0.98342
| 0.1228
|
['Li', 'P']
|
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