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-1653421
Li13Mn2O9
3
true
-0.049748
0.465729
-0.582681
false
-0.882191
0.118904
['Li', 'Mn', 'O']
mp-752819
Li13Mn2O12
3
true
0.06353
0.453856
-0.868213
false
-0.787592
-0.507463
['Li', 'Mn', 'O']
mp-753008
Li13(FeO6)2
3
true
0.162184
0.494746
-0.868213
false
-0.750201
-0.519687
['Fe', 'Li', 'O']
mp-764770
Li13Mn2O9
3
true
-0.052767
0.464933
-0.868213
false
-0.883544
0.120034
['Li', 'Mn', 'O']
mp-777360
Li13V24O52
3
false
-0.490818
-0.221134
-0.463512
false
-0.095269
1.612354
['Li', 'O', 'V']
mp-758586
Li13Mn8O24
3
true
-0.039802
0.129984
-0.868213
false
-0.049758
-0.046255
['Li', 'Mn', 'O']
mp-759819
Li13Mn17O40
3
true
-0.078858
-0.050865
-0.868213
false
0.108705
0.801234
['Li', 'Mn', 'O']
mp-531078
Li13Co11O24
3
true
0.258515
0.26479
-0.729679
false
0.63881
1.049715
['Co', 'Li', 'O']
mp-774263
Li13Ti28O56
3
false
-1.410248
-0.397499
-0.868213
false
-0.076343
1.829754
['Li', 'O', 'Ti']
mp-1223160
Li13Zn11Ge12
3
false
2.077541
1.327848
-0.868213
false
0.347155
0.650362
['Ge', 'Li', 'Zn']
mp-757323
Li13Co15O28
3
true
0.446331
0.255673
-0.633464
false
0.641454
0.210024
['Co', 'Li', 'O']
mp-757347
Li13Ni15O28
3
true
0.559435
0.390676
-0.868213
false
0.744764
0.160499
['Li', 'Ni', 'O']
mp-758698
Li13Mn8O24
3
true
-0.044421
0.128766
-0.868213
false
-0.05478
-0.043816
['Li', 'Mn', 'O']
mp-766878
Li13Ni15O28
3
true
0.558084
0.39032
-0.868213
false
0.741
0.162118
['Li', 'Ni', 'O']
mp-766887
Li13Co15O28
3
true
0.389918
0.240795
-0.842483
false
0.623303
0.218416
['Co', 'Li', 'O']
mp-769473
Li13Ni9O22
3
true
0.491641
0.44391
-0.868213
false
0.417126
-0.174221
['Li', 'Ni', 'O']
mp-31194
Li13(Ga7Cu2)3
3
false
1.811254
-0.423753
-0.868213
false
1.011489
2.289566
['Cu', 'Ga', 'Li']
mp-569025
Ba19Na29Li13
3
false
2.165986
1.633448
-0.85826
false
-1.045152
13.51478
['Ba', 'Li', 'Na']
mp-758228
Li13Mn8O24
3
true
-0.046577
0.128197
-0.868213
false
-0.054624
-0.043892
['Li', 'Mn', 'O']
mp-1211165
Li13(Si5Pd7)2
3
false
1.509705
0.748184
-0.868213
false
1.513349
1.730242
['Li', 'Pd', 'Si']
mp-675195
Li13(Mn3As4)2
3
true
1.713349
0.731705
-0.868213
false
0.016849
0.056319
['As', 'Li', 'Mn']
mp-530165
Li13Ti22O48
3
false
-1.391134
-0.352342
-0.868213
false
-0.162085
1.374313
['Li', 'O', 'Ti']
mp-530398
Li13Mn21O48
3
true
-0.043046
-0.081574
-0.868213
false
0.106659
1.229318
['Li', 'Mn', 'O']
mp-1178075
Li13Mn6(PO4)8
4
true
-0.646162
-0.015743
-0.868213
false
-0.491113
0.637147
['Li', 'Mn', 'O', 'P']
mp-759598
K8Li13(FeO4)4
4
true
0.205241
0.553203
0.367488
true
-0.710621
0.33582
['Fe', 'K', 'Li', 'O']
mp-768142
Li13Nb14ZnO42
4
false
-0.97313
-0.273528
-0.868213
false
0.513576
1.020688
['Li', 'Nb', 'O', 'Zn']
mp-769522
Li13Mg(Ni6O13)2
4
true
0.457145
0.406911
-0.868213
false
0.596264
0.037531
['Li', 'Mg', 'Ni', 'O']
mp-1228109
Ba8Li13GaSb12
4
false
1.187357
1.060441
-0.868213
false
0.638843
1.533481
['Ba', 'Ga', 'Li', 'Sb']
mp-760049
Li13Mn3(SbO8)2
4
true
-0.15099
0.306535
-0.067275
false
0.135032
-0.322664
['Li', 'Mn', 'O', 'Sb']
mp-764234
Li13Mn3Nb2O16
4
true
-0.381259
0.143874
-0.14047
false
-0.064976
-0.323492
['Li', 'Mn', 'Nb', 'O']
mp-720245
CsKNaLi13(SiO4)4
6
false
-0.627298
0.333093
1.898268
true
-0.754528
1.151779
['Cs', 'K', 'Li', 'Na', 'O', 'Si']
mp-1222798
Li14MgSi4
3
false
1.913828
1.279074
-0.80118
false
-1.642309
0.492613
['Li', 'Mg', 'Si']
mp-781016
Li14Fe4O13
3
true
0.055134
0.384014
0.733865
true
-0.814539
0.763079
['Fe', 'Li', 'O']
mp-753585
Li14Fe2S9
3
true
0.723413
0.790503
-0.868213
false
-1.214449
-0.00551
['Fe', 'Li', 'S']
mp-756198
Li14Mn2S9
3
true
0.638724
0.752106
0.331602
true
-1.203255
-0.020533
['Li', 'Mn', 'S']
mp-768268
Li14Co2S9
3
true
0.734506
0.824454
-0.457215
false
-1.159789
-0.040759
['Co', 'Li', 'S']
mp-770530
Li14Mn2O9
3
true
-0.039161
0.488763
0.886957
true
-0.928975
0.187267
['Li', 'Mn', 'O']
mp-777836
Li14Co13O28
3
true
0.295146
0.255525
-0.868213
false
0.66297
0.088017
['Co', 'Li', 'O']
mp-1198827
Li14W7O32
3
false
0.367009
0.125866
-0.868213
false
-0.171258
1.363646
['Li', 'O', 'W']
mp-764848
Li14Mn5F24
3
true
-1.15362
0.435139
1.519365
true
-0.55606
1.481415
['F', 'Li', 'Mn']
mp-530600
Li14Ti21O48
3
false
-1.373001
-0.326632
-0.868213
false
-0.213338
1.375447
['Li', 'O', 'Ti']
mp-758900
Li10Fe(SiO5)2
4
true
-0.520522
0.292742
0.366473
true
-0.905503
0.127895
['Fe', 'Li', 'O', 'Si']
mp-765779
Li10V(SiO5)2
4
false
-0.547906
0.277776
-0.290243
false
-0.912719
0.114362
['Li', 'O', 'Si', 'V']
mp-767066
Li10Si2NiO10
4
true
-0.485929
0.335799
0.922233
true
-0.885861
0.122623
['Li', 'Ni', 'O', 'Si']
mp-767255
Li10Cr(SiO5)2
4
false
-0.533801
0.274316
-0.414694
false
-0.914264
0.119914
['Cr', 'Li', 'O', 'Si']
mp-780653
Li10Mn(SiO5)2
4
true
-0.560909
0.273361
-0.199715
false
-0.901407
0.120795
['Li', 'Mn', 'O', 'Si']
mp-767498
Li10Ti11Nb6O42
4
false
-1.256349
-0.366786
0.614019
true
0.134561
0.976908
['Li', 'Nb', 'O', 'Ti']
mp-23122
Li10B14Cl2O25
4
false
-0.847875
-0.050237
3.466491
true
-0.832936
0.085625
['B', 'Cl', 'Li', 'O']
mp-1266446
Li10Cu(SiO5)2
4
false
-0.474042
0.360139
-0.634682
false
-0.865586
0.124781
['Cu', 'Li', 'O', 'Si']
mp-761094
Li10FeCo9O20
4
true
0.290426
0.23193
0.460995
true
0.523592
-0.20609
['Co', 'Fe', 'Li', 'O']
mp-769567
Li10Ti11Cr9O40
4
false
-1.042819
-0.355852
-0.868213
false
0.015133
0.927328
['Cr', 'Li', 'O', 'Ti']
mp-769545
Li10FeNi9O20
4
true
0.4862
0.371908
-0.868213
false
0.59367
-0.231632
['Fe', 'Li', 'Ni', 'O']
mp-769555
Li10Co3Ni7O20
4
true
0.482539
0.361005
-0.868213
false
0.801779
-0.29144
['Co', 'Li', 'Ni', 'O']
mp-1147630
Li10Zn7(PS4)8
4
false
1.10171
0.792621
0.938416
true
-0.90047
5.945796
['Li', 'P', 'S', 'Zn']
mp-1147687
Li10Zn(PS4)4
4
false
0.938314
0.773276
0.891426
true
-1.165315
2.446698
['Li', 'P', 'S', 'Zn']
mp-1147684
Li10Zn(PS4)4
4
false
0.938611
0.773354
0.877748
true
-1.163405
2.441467
['Li', 'P', 'S', 'Zn']
mp-1147681
Li10Zn(PS4)4
4
false
0.938628
0.773358
0.826086
true
-1.157105
2.424321
['Li', 'P', 'S', 'Zn']
mp-1147685
Li10Zn(PS4)4
4
false
0.938441
0.773309
0.82893
true
-1.125256
2.340032
['Li', 'P', 'S', 'Zn']
mp-759769
Li10Fe5Co3O16
4
true
0.27403
0.228497
-0.868213
false
0.450975
-0.391259
['Co', 'Fe', 'Li', 'O']
mp-760983
Li10V5Cr3O16
4
false
-0.347621
-0.02615
-0.099234
false
0.115004
-0.338246
['Cr', 'Li', 'O', 'V']
mp-763575
Li10Co(SiO5)2
4
true
-0.497246
0.315742
0.453141
true
-0.898798
0.134511
['Co', 'Li', 'O', 'Si']
mp-1178099
Li10Cr3Fe3(NiO8)2
5
true
-0.014653
0.133767
0.300388
true
0.269416
-0.353372
['Cr', 'Fe', 'Li', 'Ni', 'O']
mp-1178098
Li10Cr2Fe3Co3O16
5
true
0.127648
0.1697
-0.868213
false
0.306401
-0.356544
['Co', 'Cr', 'Fe', 'Li', 'O']
mp-760787
Li10Mn2V3Cr3O16
5
true
-0.326548
-0.021925
0.376426
true
0.107764
-0.325958
['Cr', 'Li', 'Mn', 'O', 'V']
mp-774315
Li10Ti3Co3(NiO8)2
5
true
-0.275241
0.144257
-0.217049
false
0.238648
-0.34711
['Co', 'Li', 'Ni', 'O', 'Ti']
mp-774319
Li10Ti2Fe3Ni3O16
5
true
-0.149286
0.161308
0.182776
true
0.284666
-0.359994
['Fe', 'Li', 'Ni', 'O', 'Ti']
mp-774408
Li10Mn3Cr3(NiO8)2
5
true
-0.089831
0.096224
-0.167418
false
0.283632
-0.361001
['Cr', 'Li', 'Mn', 'Ni', 'O']
mp-774318
Li10Fe3Co3(NiO8)2
5
true
0.312627
0.284586
-0.341229
false
0.492965
-0.397017
['Co', 'Fe', 'Li', 'Ni', 'O']
mp-777350
Li10Mn2Fe3Co3O16
5
true
0.152283
0.184578
-0.343531
false
0.317682
-0.353384
['Co', 'Fe', 'Li', 'Mn', 'O']
mp-777063
Li10Mn3Cr3(FeO8)2
5
true
-0.132087
0.03917
-0.158142
false
0.170236
-0.330699
['Cr', 'Fe', 'Li', 'Mn', 'O']
mp-777402
Li10Ti2Mn3Ni3O16
5
true
-0.229767
0.122367
-0.577874
false
0.260353
-0.355436
['Li', 'Mn', 'Ni', 'O', 'Ti']
mp-777762
Li10Cr3Co2Ni3O16
5
true
0.138786
0.22
-0.868213
false
0.463383
-0.401367
['Co', 'Cr', 'Li', 'Ni', 'O']
mp-778201
Li10Fe3Co2Ni3O16
5
true
0.302978
0.293589
-0.868213
false
0.478515
-0.393206
['Co', 'Fe', 'Li', 'Ni', 'O']
mp-778315
Li10Mn3Co2Ni3O16
5
true
0.194033
0.247141
-0.820748
false
0.388192
-0.369878
['Co', 'Li', 'Mn', 'Ni', 'O']
mp-779007
Li10Fe2Co3Ni3O16
5
true
0.351074
0.31768
-0.868213
false
0.533423
-0.405199
['Co', 'Fe', 'Li', 'Ni', 'O']
mp-779764
Li10Ti2Mn3Co3O16
5
true
-0.208701
0.093277
-0.868213
false
0.202114
-0.335624
['Co', 'Li', 'Mn', 'O', 'Ti']
mp-778830
Li10Ti2Fe3Co3O16
5
true
-0.155234
0.125093
0.149734
true
0.25256
-0.348949
['Co', 'Fe', 'Li', 'O', 'Ti']
mp-780494
Li10Mn3Cr3(CoO8)2
5
true
-0.095721
0.071574
-0.206757
false
0.239322
-0.3463
['Co', 'Cr', 'Li', 'Mn', 'O']
mp-760793
Li10Cr3P6(O4F)6
5
false
-0.66356
0.115674
-0.868213
false
-0.776737
0.44557
['Cr', 'F', 'Li', 'O', 'P']
mp-849374
Li10Mg12Fe(PO4)12
5
true
-1.042579
0.041637
2.166331
true
-0.529483
1.284341
['Fe', 'Li', 'Mg', 'O', 'P']
mp-1178101
Li10Sc9Fe(SiO3)20
5
true
-1.437649
-0.26193
1.203228
true
-0.510318
2.054568
['Fe', 'Li', 'O', 'Sc', 'Si']
mp-764933
Li10Mn2Fe3Ni3O16
5
true
0.155975
0.220197
-0.575843
false
0.35993
-0.367217
['Fe', 'Li', 'Mn', 'Ni', 'O']
mp-774310
Li10Cr2Fe3Co3O16
5
true
0.104029
0.163471
-0.868213
false
0.325772
-0.362568
['Co', 'Cr', 'Fe', 'Li', 'O']
mp-775215
Li10Cr3Fe3(NiO8)2
5
true
-0.012433
0.134352
0.239314
true
0.287923
-0.359226
['Cr', 'Fe', 'Li', 'Ni', 'O']
mp-778885
Li10Mn3Cr2Ni3O16
5
true
0.00968
0.155518
-0.611729
false
0.337829
-0.370152
['Cr', 'Li', 'Mn', 'Ni', 'O']
mp-29631
Li11Ge6
2
false
1.822638
1.187629
-0.868213
false
-0.466587
0.370786
['Ge', 'Li']
mp-676591
Li11Nb12O36
3
false
-0.953909
-0.288174
-0.868213
false
0.396416
0.71307
['Li', 'Nb', 'O']
mp-757395
Li11(RuO3)8
3
false
0.276102
0.167955
-0.868213
false
0.703602
0.028914
['Li', 'O', 'Ru']
mp-758440
Li11V16O32
3
false
-0.552967
-0.203753
-0.212174
false
0.027392
0.536811
['Li', 'O', 'V']
mp-779771
Li11Mn6O16
3
true
-0.151778
0.134702
-0.545915
false
-0.016222
0.465614
['Li', 'Mn', 'O']
mp-38676
Li11(NiO2)12
3
true
0.586397
0.402489
-0.868213
false
0.604986
-0.038346
['Li', 'Ni', 'O']
mp-531021
Li11Mn13O32
3
true
-0.062257
-0.023939
-0.868213
false
0.033246
0.405442
['Li', 'Mn', 'O']
mp-758517
Li11Ni13O24
3
true
0.567941
0.389576
-0.868213
false
0.789078
-0.048225
['Li', 'Ni', 'O']
mp-776099
Li11Fe6F29
3
true
-0.937023
0.488557
1.305064
true
-0.650075
0.422585
['F', 'Fe', 'Li']
mp-685440
Li11Ta37N48
3
false
0.69714
-5.114995
-0.868213
false
6.020588
1.561488
['Li', 'N', 'Ta']
mp-1223041
Li11(MoO2)12
3
false
0.03329
-0.118636
-0.587624
false
0.86869
0.292486
['Li', 'Mo', 'O']
mp-769483
Li11(CoO4)2
3
true
0.066944
0.522259
-0.672058
false
-0.741044
-0.068872
['Co', 'Li', 'O']
mp-677349
Li11MnAs6
3
true
1.615545
1.026984
-0.868213
false
-0.548765
0.662849
['As', 'Li', 'Mn']
mp-769472
Li11(NiO4)2
3
true
0.160582
0.584349
-0.868213
false
-0.736646
-0.073509
['Li', 'Ni', 'O']
mp-849463
Li11(FeO3)4
3
true
0.115674
0.341466
-0.868213
false
-0.595399
-0.413843
['Fe', 'Li', 'O']