material_id
stringlengths
6
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formula_pretty
stringlengths
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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-1175365
Li7Mn5O12
3
true
-0.166014
0.061787
-0.868213
false
0.076567
-0.59885
['Li', 'Mn', 'O']
mp-1175375
Li7Mn5O12
3
true
-0.157884
0.063931
-0.613218
false
0.090432
0.03363
['Li', 'Mn', 'O']
mp-1175362
Li7Mn5O12
3
true
-0.165802
0.061843
-0.238107
false
0.067357
-0.596564
['Li', 'Mn', 'O']
mp-1174577
Li7Co5O12
3
true
0.529554
0.367852
-0.868213
false
0.198291
-0.603923
['Co', 'Li', 'O']
mp-1175360
Li7Mn5O12
3
true
-0.134473
0.070105
-0.868213
false
0.035822
-0.588614
['Li', 'Mn', 'O']
mp-1175359
Li7Mn5O12
3
true
-0.167318
0.061443
-0.254628
false
0.073758
0.04184
['Li', 'Mn', 'O']
mp-1175347
Li7Mn5O12
3
true
-0.169152
0.06096
-0.868213
false
0.066995
0.045201
['Li', 'Mn', 'O']
mp-1175354
Li7Mn5O12
3
true
-0.191152
0.055157
-0.022655
false
0.065686
0.045853
['Li', 'Mn', 'O']
mp-1175378
Li7Mn5O12
3
true
-0.144565
0.067444
-0.677475
false
0.079422
-0.599555
['Li', 'Mn', 'O']
mp-1175581
Li7Mn5O12
3
true
-0.046639
0.09327
-0.868213
false
-0.0394
-0.568831
['Li', 'Mn', 'O']
mp-1638910
Li7Mn5O12
3
true
-0.170991
0.060475
0.019935
true
0.055904
0.05075
['Li', 'Mn', 'O']
mp-675260
Li7Mn11O24
3
true
-0.010694
-0.072974
-0.868213
false
0.274519
-0.043156
['Li', 'Mn', 'O']
mp-685293
Li7Mn11O24
3
true
-0.044011
-0.08176
-0.868213
false
0.155041
2.507605
['Li', 'Mn', 'O']
mp-757087
Li7Cr5O12
3
false
-0.356539
-0.018141
-0.868213
false
0.062491
-0.613701
['Cr', 'Li', 'O']
mp-758593
Li7Ni13O24
3
true
0.799427
0.38289
-0.868213
false
0.765311
-0.066789
['Li', 'Ni', 'O']
mp-759692
Li7V5O12
3
false
-0.501768
-0.022039
-0.868213
false
0.05392
-0.618213
['Li', 'O', 'V']
mp-764764
Li7Mn5O12
3
true
-0.200778
0.052619
-0.435548
false
0.101418
0.028278
['Li', 'Mn', 'O']
mp-765632
Li7Mn11O24
3
true
-0.015863
-0.074337
-0.868213
false
0.125115
0.02462
['Li', 'Mn', 'O']
mp-766574
Li7(NiO2)10
3
true
0.730379
0.397301
-0.868213
false
0.635785
-0.263446
['Li', 'Ni', 'O']
mp-767763
Li7Mn8O20
3
true
-0.044949
-0.011859
-0.868213
false
0.039086
0.796525
['Li', 'Mn', 'O']
mp-766393
Li7Ti11O24
3
false
-1.378733
-0.33752
-0.868213
false
-0.15213
0.067288
['Li', 'O', 'Ti']
mp-766823
Li7Ti11O24
3
false
-1.379297
-0.337669
-0.868213
false
-0.087227
0.032304
['Li', 'O', 'Ti']
mp-771155
Li7Co5O12
3
true
0.238206
0.291015
-0.406162
false
0.62206
-0.689758
['Co', 'Li', 'O']
mp-779455
Li7Ti5O12
3
false
-1.091756
-0.105799
-0.868213
false
-0.027173
-0.617827
['Li', 'O', 'Ti']
mp-530141
Li7Ti16O32
3
false
-1.41891
-0.407657
-0.868213
false
-0.081059
0.514413
['Li', 'O', 'Ti']
mp-531248
Li7Mn17O32
3
true
0.005311
-0.156439
-0.868213
false
0.495002
0.357832
['Li', 'Mn', 'O']
mp-531650
Li7Mn16O32
3
true
0.014275
-0.136588
-0.868213
false
0.416124
0.340617
['Li', 'Mn', 'O']
mp-36063
Li7MnAs4
3
true
1.662792
0.980987
-0.868213
false
-0.497474
0.047899
['As', 'Li', 'Mn']
mp-582259
Li7VN4
3
false
1.124436
0.207777
0.612394
true
-0.973748
-0.588098
['Li', 'N', 'V']
mp-780217
Li7CuO4
3
false
0.178952
0.685198
0.654442
true
-0.660966
-0.626683
['Cu', 'Li', 'O']
mp-28592
Li7Br3O2
3
false
0.055825
0.872374
2.006333
true
-0.448408
-0.739515
['Br', 'Li', 'O']
mp-767553
Li7Sb2S
3
false
1.265736
1.125179
-0.868213
false
-0.666111
1.018968
['Li', 'S', 'Sb']
mp-28891
Li7TaO6
3
false
-0.572172
0.249708
2.093001
true
0.194516
-0.85188
['Li', 'O', 'Ta']
mp-27453
Li7SbO6
3
false
-0.189718
0.510939
1.499729
true
-0.31427
-0.848851
['Li', 'O', 'Sb']
mp-37399
Li7NbO6
3
false
-0.479795
0.310663
1.527084
true
-0.545716
-0.850105
['Li', 'Nb', 'O']
mp-754060
Li7BiO6
3
false
0.009412
0.568408
0.428224
true
0.366056
-0.843648
['Bi', 'Li', 'O']
mp-752471
Li7FeO6
3
true
0.108034
0.499498
-0.646531
false
-0.72116
-0.878526
['Fe', 'Li', 'O']
mp-937761
Li7ZrO6
3
false
-0.423674
0.357661
-0.868213
false
-0.656998
-0.829704
['Li', 'O', 'Zr']
mp-673833
Li7VAs4
3
false
1.301322
-0.28513
-0.259097
false
-0.431074
-0.005534
['As', 'Li', 'V']
mp-867726
Li7(CoO3)2
3
true
0.227069
0.489945
-0.672126
false
-0.53947
-0.383214
['Co', 'Li', 'O']
mp-34052
Li7Ti7O16
3
false
-1.210549
-0.209946
-0.868213
false
-0.133382
-0.374401
['Li', 'O', 'Ti']
mp-757896
Li7Mn14O32
3
true
0.041267
-0.092518
-0.868213
false
0.123978
0.381915
['Li', 'Mn', 'O']
mp-1175490
Li7Mn5O12
3
true
0.016956
0.110042
-0.868213
false
-0.017338
-0.574757
['Li', 'Mn', 'O']
mp-1222572
Li7Cu2N3
3
false
1.694234
0.394916
-0.650933
false
-0.623741
-0.867721
['Cu', 'Li', 'N']
mp-29974
RbLi7Ge8
3
false
1.903919
1.110093
-0.740783
false
-0.186686
2.713465
['Ge', 'Li', 'Rb']
mp-1222475
Li7Mn2N3
3
true
1.761779
0.632406
-0.868213
false
-0.86193
-0.847686
['Li', 'Mn', 'N']
mp-1211673
Li7Mg8Zn9
3
false
1.989225
1.607065
-0.868213
false
-0.268361
3.52486
['Li', 'Mg', 'Zn']
mp-768990
Li7NbS6
3
false
0.657877
0.711372
0.731766
true
-1.10494
1.813106
['Li', 'Nb', 'S']
mp-1174246
Li7Co5O12
3
true
0.25147
0.294513
-0.556884
false
0.642718
-0.693352
['Co', 'Li', 'O']
mp-1174292
Li7Co5O12
3
true
0.299845
0.307271
-0.468523
false
0.340484
-0.63557
['Co', 'Li', 'O']
mp-1174293
Li7Co5O12
3
true
0.337859
0.317296
-0.524045
false
0.252536
-0.61638
['Co', 'Li', 'O']
mp-1174271
Li7Co5O12
3
true
0.291181
0.304986
-0.403996
false
0.342458
-0.635987
['Co', 'Li', 'O']
mp-1174229
Li7Co5O12
3
true
0.304628
0.308532
-0.868213
false
0.350688
-0.63772
['Co', 'Li', 'O']
mp-1174265
Li7Co5O12
3
true
0.292954
0.305453
-0.868213
false
0.322754
-0.631797
['Co', 'Li', 'O']
mp-1174266
Li7Co5O12
3
true
0.330155
0.315264
-0.613557
false
0.264874
-0.619146
['Co', 'Li', 'O']
mp-1174223
Li7Co5O12
3
true
0.295019
0.305998
-0.837811
false
0.300965
-0.627096
['Co', 'Li', 'O']
mp-1174245
Li7Co5O12
3
true
0.348849
0.320195
-0.51944
false
0.246076
-0.614922
['Co', 'Li', 'O']
mp-1174366
Li7Co5O12
3
true
0.299263
0.307117
-0.868213
false
0.297361
-0.626311
['Co', 'Li', 'O']
mp-1174374
Li7Co5O12
3
true
0.304314
0.308449
-0.657636
false
0.332251
-0.633824
['Co', 'Li', 'O']
mp-1175313
Li7Mn5O12
3
true
-0.1896
0.055567
-0.184481
false
0.079256
0.039121
['Li', 'Mn', 'O']
mp-1174315
Li7Co5O12
3
true
0.300903
0.30755
-0.854197
false
0.294296
-0.625642
['Co', 'Li', 'O']
mp-1174328
Li7Co5O12
3
true
0.34488
0.319148
-0.868213
false
0.277402
-0.621929
['Co', 'Li', 'O']
mp-1174305
Li7Co5O12
3
true
0.318868
0.312288
-0.868213
false
0.331591
-0.633684
['Co', 'Li', 'O']
mp-1174384
Li7Co5O12
3
true
0.343062
0.318668
-0.868213
false
0.27634
-0.621694
['Co', 'Li', 'O']
mp-1174494
Li7Co5O12
3
true
0.306165
0.308938
-0.844582
false
0.33619
-0.031172
['Co', 'Li', 'O']
mp-1174804
Li7Co5O12
3
true
0.320128
0.31262
-0.868213
false
0.332276
-0.633829
['Co', 'Li', 'O']
mp-1175308
Li7Mn5O12
3
true
-0.187205
0.056198
-0.200257
false
0.083014
0.03727
['Li', 'Mn', 'O']
mp-1175310
Li7Mn5O12
3
true
-0.157976
0.063907
-0.868213
false
0.078875
0.03931
['Li', 'Mn', 'O']
mp-1174307
Li7Co5O12
3
true
0.34937
0.320332
-0.535352
false
0.255731
-0.617099
['Co', 'Li', 'O']
mp-1174313
Li7Co5O12
3
true
0.286309
0.303701
-0.144938
false
0.318133
-0.630806
['Co', 'Li', 'O']
mp-1174364
Li7Co5O12
3
true
0.335396
0.316647
-0.569004
false
0.335892
-0.634598
['Co', 'Li', 'O']
mp-1175316
Li7Mn5O12
3
true
-0.172291
0.060132
-0.868213
false
0.082437
-0.600298
['Li', 'Mn', 'O']
mp-1175321
Li7Mn5O12
3
true
-0.169861
0.060773
-0.868213
false
0.08566
0.035969
['Li', 'Mn', 'O']
mp-1175335
Li7Mn5O12
3
true
-0.170243
0.060672
-0.414694
false
0.083776
0.036895
['Li', 'Mn', 'O']
mp-1175337
Li7Mn5O12
3
true
-0.174532
0.059541
-0.868213
false
0.086277
-0.601241
['Li', 'Mn', 'O']
mp-1175317
Li7Mn5O12
3
true
-0.184081
0.057022
-0.868213
false
0.081927
0.037805
['Li', 'Mn', 'O']
mp-1175326
Li7Mn5O12
3
true
-0.171495
0.060341
-0.283337
false
0.076379
0.040543
['Li', 'Mn', 'O']
mp-1175339
Li7Mn5O12
3
true
0.067698
0.123423
-0.868213
false
0.053152
-0.593007
['Li', 'Mn', 'O']
mp-1175340
Li7Mn5O12
3
true
-0.158741
0.063705
-0.576113
false
0.075461
-0.598576
['Li', 'Mn', 'O']
mp-1175351
Li7Mn5O12
3
true
-0.158183
0.063852
-0.462361
false
0.090319
0.033685
['Li', 'Mn', 'O']
mp-1175334
Li7Mn5O12
3
true
-0.17325
0.059879
-0.868213
false
0.095772
-0.603563
['Li', 'Mn', 'O']
mp-1175349
Li7Mn5O12
3
true
-0.189269
0.055654
-0.189559
false
0.064049
-0.59574
['Li', 'Mn', 'O']
mp-1175325
Li7Mn5O12
3
true
-0.182014
0.057567
-0.298978
false
0.064602
-0.595878
['Li', 'Mn', 'O']
mp-1175314
Li7Mn5O12
3
true
-0.201108
0.052532
-0.212648
false
0.253645
-0.639825
['Li', 'Mn', 'O']
mp-1175318
Li7Mn5O12
3
true
-0.168897
0.061027
-0.403183
false
0.085593
0.036002
['Li', 'Mn', 'O']
mp-1175324
Li7Mn5O12
3
true
-0.127216
0.072019
-0.868213
false
0.054424
-0.593328
['Li', 'Mn', 'O']
mp-1175328
Li7Mn5O12
3
true
-0.170995
0.060473
-0.868213
false
0.09386
-0.603097
['Li', 'Mn', 'O']
mp-1175332
Li7Mn5O12
3
true
-0.171941
0.060224
-0.868213
false
0.082645
-0.600349
['Li', 'Mn', 'O']
mp-1175344
Li7Mn5O12
3
true
-0.162799
0.062635
-0.411918
false
0.062337
-0.595312
['Li', 'Mn', 'O']
mp-1175373
Li7Mn5O12
3
true
-0.160462
0.063251
-0.489445
false
0.070867
-0.597437
['Li', 'Mn', 'O']
mp-1175323
Li7Mn5O12
3
true
-0.169813
0.060785
-0.409954
false
0.082376
0.037584
['Li', 'Mn', 'O']
mp-1175331
Li7Mn5O12
3
true
-0.176513
0.059018
-0.868213
false
0.076493
-0.598832
['Li', 'Mn', 'O']
mp-1175343
Li7Mn5O12
3
true
-0.17969
0.05818
-0.533118
false
0.065581
0.045905
['Li', 'Mn', 'O']
mp-1176887
Li7Fe3O10
3
true
0.222392
0.317099
-0.868213
false
-0.23329
-0.707964
['Fe', 'Li', 'O']
mp-1232439
Li7Mn5O12
3
true
-0.179731
0.05817
-0.811946
false
0.085472
-0.601044
['Li', 'Mn', 'O']
mp-1346728
Li7Mn5O12
3
true
2.009532
0.63554
-0.757508
false
0.088986
-0.601906
['Li', 'Mn', 'O']
mp-1639283
Li7Mn5O12
3
true
-0.181172
0.05779
-0.260993
false
0.067115
0.045141
['Li', 'Mn', 'O']
mp-1639032
Li7Mn5O12
3
true
-0.183955
0.057055
-0.333307
false
0.076996
0.040238
['Li', 'Mn', 'O']
mp-1643648
Li7Mn5O12
3
true
-0.183274
0.057235
-0.295999
false
0.067939
0.04473
['Li', 'Mn', 'O']
mp-1644867
Li7Mn5O12
3
true
-0.183592
0.057151
-0.346578
false
0.08155
0.03799
['Li', 'Mn', 'O']