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-560555
Li8Bi2PdO10
4
false
0.143294
0.502848
-0.232284
false
1.090727
-0.578769
['Bi', 'Li', 'O', 'Pd']
mp-775158
Li8Mn13Cr3O32
4
true
-0.169178
-0.172509
-0.793732
false
0.194592
0.46774
['Cr', 'Li', 'Mn', 'O']
mp-772622
Li8Ti6Mn7O30
4
true
-0.580827
-0.180184
-0.249956
false
0.097531
0.247684
['Li', 'Mn', 'O', 'Ti']
mp-772997
Li8Ti7Nb6O30
4
false
-1.116327
-0.346267
-0.868213
false
0.275632
0.406951
['Li', 'Nb', 'O', 'Ti']
mp-772976
Li8Mn15NiO32
4
true
-0.065136
-0.119915
-0.484773
false
0.231403
0.459553
['Li', 'Mn', 'Ni', 'O']
mp-1201314
Li8Be6P7O29
4
false
-0.848688
0.043464
-0.739971
false
-0.923321
1.959825
['Be', 'Li', 'O', 'P']
mp-567643
Ba12Na15Li8N6
4
false
1.877636
1.266433
-0.868213
false
-0.888095
2.981854
['Ba', 'Li', 'N', 'Na']
mp-764727
Li8NiO5F
4
true
-0.057598
0.600795
0.541096
true
-0.852849
-0.412175
['F', 'Li', 'Ni', 'O']
mp-776549
Li8FeO5F
4
true
-0.212518
0.507907
1.16003
true
-0.955684
-0.369262
['F', 'Fe', 'Li', 'O']
mp-859132
Li8VO5F
4
false
-0.328514
0.465441
0.490923
true
-0.996768
-0.366461
['F', 'Li', 'O', 'V']
mp-1176816
Li8Ni(O2F)2
4
true
-0.211329
0.618941
1.317793
true
-0.727266
0.318968
['F', 'Li', 'Ni', 'O']
mp-1176841
Li8Fe(O2F)2
4
true
-0.272636
0.550742
1.461879
true
-0.859596
0.421727
['F', 'Fe', 'Li', 'O']
mp-752873
Li8Fe(O2F)2
4
true
-0.28304
0.547998
1.178514
true
-0.966327
0.536558
['F', 'Fe', 'Li', 'O']
mp-753488
Li8Ni(O2F)2
4
true
-0.183679
0.626233
1.289626
true
-0.7515
-0.843503
['F', 'Li', 'Ni', 'O']
mp-754201
Li8Nb(FeO4)3
4
true
-0.109115
0.178221
-0.839098
false
0.141451
-0.623344
['Fe', 'Li', 'Nb', 'O']
mp-757784
Li8V3P8O29
4
false
-0.804445
-0.059688
-0.237836
false
-0.752751
2.12315
['Li', 'O', 'P', 'V']
mp-759197
Li8FeNi9O20
4
true
0.610425
0.365659
-0.868213
false
0.619251
-0.254097
['Fe', 'Li', 'Ni', 'O']
mp-759827
Li8Co(O2F)2
4
true
-0.229666
0.587928
0.818096
true
-0.776847
0.365312
['Co', 'F', 'Li', 'O']
mp-761013
Li8MnNi7O16
4
true
0.413165
0.341494
-0.800029
false
0.574249
-0.4294
['Li', 'Mn', 'Ni', 'O']
mp-761056
Li8Co(O2F)2
4
true
-0.185436
0.599593
0.83069
true
-0.752789
-0.4474
['Co', 'F', 'Li', 'O']
mp-763440
Li8Mn(O2F)2
4
true
-0.337545
0.520238
1.007954
true
-0.86319
-0.409935
['F', 'Li', 'Mn', 'O']
mp-764500
Li8Fe(O2F)2
4
true
-0.277331
0.549503
1.220291
true
-0.88487
-0.395297
['F', 'Fe', 'Li', 'O']
mp-764865
Li8FeCo9O20
4
true
0.355545
0.205443
-0.76807
false
0.6993
-0.276491
['Co', 'Fe', 'Li', 'O']
mp-771651
Li8Mn13Fe3O32
4
true
-0.05224
-0.123281
-0.610916
false
0.192769
0.4826
['Fe', 'Li', 'Mn', 'O']
mp-780086
Li8Mn(O2F)2
4
true
-0.333429
0.521323
0.970578
true
-0.84839
0.403518
['F', 'Li', 'Mn', 'O']
mp-861293
Li8Ni(O2F)2
4
true
-0.17344
0.628933
1.168493
true
-0.651618
-0.491298
['F', 'Li', 'Ni', 'O']
mp-753875
Li8Cr3SbO12
4
false
-0.226389
0.176588
-0.421329
false
0.185062
-0.612688
['Cr', 'Li', 'O', 'Sb']
mp-766973
Li8Mn(FeO4)3
4
true
0.102493
0.245384
-0.868213
false
-0.046913
-0.62578
['Fe', 'Li', 'Mn', 'O']
mp-767679
Li8TiMn3O12
4
true
-0.350867
0.116034
0.056159
true
-0.057246
-0.033874
['Li', 'Mn', 'O', 'Ti']
mp-767678
Li8Cr3TeO12
4
false
-0.192611
0.197413
-0.199377
false
0.168573
-0.60184
['Cr', 'Li', 'O', 'Te']
mp-767681
Li8Cr(FeO4)3
4
true
0.088271
0.235697
-0.868213
false
-0.056099
-0.627335
['Cr', 'Fe', 'Li', 'O']
mp-849393
Li8Fe7(PO4)8
4
true
-0.324607
-0.004028
-0.698329
false
-0.277563
2.229953
['Fe', 'Li', 'O', 'P']
mp-759890
Li8Fe(O2F)2
4
true
-0.256895
0.554893
1.216229
true
-0.96331
-0.352527
['F', 'Fe', 'Li', 'O']
mp-760331
Li8Co(O2F)2
4
true
-0.223008
0.589684
0.662838
true
-0.897944
-0.376159
['Co', 'F', 'Li', 'O']
mp-763831
Li8Mn(O2F)2
4
true
-0.316249
0.525854
0.802049
true
-0.968925
-0.353077
['F', 'Li', 'Mn', 'O']
mp-780787
Li8CoO5F
4
true
-0.131284
0.555185
0.24859
true
-0.896533
-0.388846
['Co', 'F', 'Li', 'O']
mp-757891
Li8V3P8O29
4
false
-0.807402
-0.060468
-0.433043
false
-0.766353
2.149386
['Li', 'O', 'P', 'V']
mp-1176867
Li8CoNi9O20
4
true
0.632472
0.381679
-0.868213
false
0.585097
0.758082
['Co', 'Li', 'Ni', 'O']
mp-764985
Li8Fe3Co7O20
4
true
0.304631
0.171605
-0.586202
false
0.549506
-0.235873
['Co', 'Fe', 'Li', 'O']
mp-850772
Li8CoNi9O20
4
true
0.649431
0.386151
-0.868213
false
0.566249
0.770316
['Co', 'Li', 'Ni', 'O']
mp-774835
Li8Fe7(PO4)8
4
true
-0.536431
-0.059892
-0.847155
false
-0.281476
0.498948
['Fe', 'Li', 'O', 'P']
mp-559185
Li8Bi2(MoO4)7
4
false
-0.17107
-0.037786
1.141951
true
0.332906
2.358327
['Bi', 'Li', 'Mo', 'O']
mp-757283
Li8V3P8O29
4
false
-0.814478
-0.062334
0.006934
true
-0.781195
2.178483
['Li', 'O', 'P', 'V']
mp-758917
Li8Mn6(FeO6)3
4
true
0.014317
0.01124
-0.868213
false
0.143887
0.794994
['Fe', 'Li', 'Mn', 'O']
mp-849522
Li8V3P8O29
4
false
-0.828376
-0.065999
-0.175611
false
-0.774932
2.166143
['Li', 'O', 'P', 'V']
mp-882371
Li8V3P8O29
4
false
-0.804887
-0.059805
-0.184413
false
-0.757918
2.133069
['Li', 'O', 'P', 'V']
mp-1176835
Li8Fe7P12WO48
5
true
-0.53881
-0.092289
-0.844988
false
-0.400989
1.455287
['Fe', 'Li', 'O', 'P', 'W']
mp-1176831
Li8MnFe7(BO3)8
5
true
-0.413621
-0.117237
1.363294
true
-0.34926
0.205366
['B', 'Fe', 'Li', 'Mn', 'O']
mp-1176836
Li8MnFe7(BO3)8
5
true
-0.417735
-0.118322
1.365325
true
-0.305227
0.176525
['B', 'Fe', 'Li', 'Mn', 'O']
mp-1176839
Li8MnFe7(BO3)8
5
true
-0.418024
-0.118398
1.365528
true
-0.303264
0.175266
['B', 'Fe', 'Li', 'Mn', 'O']
mp-1176803
Li8Zr7Fe(PO4)12
5
true
-1.137147
-0.235029
-0.868213
false
-0.45093
1.707151
['Fe', 'Li', 'O', 'P', 'Zr']
mp-1176834
Li8Fe7Te(PO4)12
5
true
-0.483607
-0.04026
-0.847291
false
-0.457529
1.441572
['Fe', 'Li', 'O', 'P', 'Te']
mp-1176833
Li8MnFe7(BO3)8
5
true
-0.412767
-0.117012
1.380086
true
-0.340691
0.199662
['B', 'Fe', 'Li', 'Mn', 'O']
mp-1176840
Li8Mn5Fe3(BO3)8
5
true
-0.512038
-0.159924
1.128545
true
-0.380929
0.221379
['B', 'Fe', 'Li', 'Mn', 'O']
mp-1176891
Li8Mn3Fe5(BO3)8
5
true
-0.4657
-0.139338
1.203161
true
-0.321146
0.184158
['B', 'Fe', 'Li', 'Mn', 'O']
mp-1176842
Li8Mn7Sb(PO4)12
5
true
-0.561527
-0.083066
-0.868213
false
-0.458352
1.423581
['Li', 'Mn', 'O', 'P', 'Sb']
mp-1176950
Li8Mn7Cu(PO4)12
5
true
-0.489624
-0.063989
-0.804227
false
-0.482125
1.362664
['Cu', 'Li', 'Mn', 'O', 'P']
mp-1176848
Li8Mn3Cr(PO4)6
5
true
-0.708763
-0.055067
-0.491273
false
-0.602748
0.179068
['Cr', 'Li', 'Mn', 'O', 'P']
mp-1176859
Li8MnFe7(PO4)12
5
true
-0.483381
-0.063178
-0.868213
false
-0.545118
1.442392
['Fe', 'Li', 'Mn', 'O', 'P']
mp-1176886
Li8Mn3Fe5(BO3)8
5
true
-0.453219
-0.136046
1.101867
true
-0.324615
0.186417
['B', 'Fe', 'Li', 'Mn', 'O']
mp-1176895
Li8Mn7Sn(PO4)12
5
true
-0.566035
-0.083799
-0.634818
false
-0.454422
1.413728
['Li', 'Mn', 'O', 'P', 'Sn']
mp-1177097
Li8Fe7Cu(PO4)12
5
true
-0.422697
-0.027845
-0.868213
false
-0.551162
1.464771
['Cu', 'Fe', 'Li', 'O', 'P']
mp-1177305
Li8Ti7Fe9(PO4)24
5
true
-0.678333
-0.154844
-0.868213
false
-0.625665
4.165589
['Fe', 'Li', 'O', 'P', 'Ti']
mp-758412
Li8Mn7Co(PO4)12
5
true
-0.504167
-0.079408
-0.854942
false
-0.472918
1.343636
['Co', 'Li', 'Mn', 'O', 'P']
mp-758577
Li8VFe7(PO4)12
5
true
-0.527798
-0.074594
-0.868213
false
-0.541443
1.43087
['Fe', 'Li', 'O', 'P', 'V']
mp-758579
Li8MnCo7(PO4)12
5
true
-0.301591
0.020485
-0.868213
false
-0.498943
1.415317
['Co', 'Li', 'Mn', 'O', 'P']
mp-768511
Li8Mn3V(PO4)6
5
true
-0.724962
-0.055407
-0.595682
false
-0.614704
0.186226
['Li', 'Mn', 'O', 'P', 'V']
mp-768492
Li8TiMn3(PO4)6
5
true
-0.805352
-0.068399
0.053112
true
-0.643635
0.203028
['Li', 'Mn', 'O', 'P', 'Ti']
mp-768534
Li8Mn3V(PO4)6
5
true
-0.729055
-0.056487
-0.580921
false
-0.619214
0.189625
['Li', 'Mn', 'O', 'P', 'V']
mp-768533
Li8TiMn3(PO4)6
5
true
-0.807507
-0.068967
-0.057322
false
-0.625918
0.18947
['Li', 'Mn', 'O', 'P', 'Ti']
mp-768581
Li8Mn3Cr(PO4)6
5
true
-0.714031
-0.056456
-0.601234
false
-0.603847
0.179885
['Cr', 'Li', 'Mn', 'O', 'P']
mp-774173
Li8MnFe7(BO3)8
5
true
-0.411613
-0.116708
1.314272
true
-0.36458
0.215679
['B', 'Fe', 'Li', 'Mn', 'O']
mp-774042
Li8Mn5Fe3(BO3)8
5
true
-0.513855
-0.160403
1.204786
true
-0.355396
0.204075
['B', 'Fe', 'Li', 'Mn', 'O']
mp-774189
Li8Mn7Fe(BO3)8
5
true
-0.562064
-0.181484
1.236745
true
-0.380922
0.218639
['B', 'Fe', 'Li', 'Mn', 'O']
mp-774396
Li8Mn5Fe3(BO3)8
5
true
-0.511209
-0.159706
-0.868213
false
-0.393401
0.229982
['B', 'Fe', 'Li', 'Mn', 'O']
mp-774410
Li8Mn3Fe5(BO3)8
5
true
-0.461872
-0.138328
-0.865369
false
-0.3745
0.219709
['B', 'Fe', 'Li', 'Mn', 'O']
mp-774299
Li8Mn5Fe3(BO3)8
5
true
-0.511546
-0.159795
1.279943
true
-0.398266
0.233366
['B', 'Fe', 'Li', 'Mn', 'O']
mp-775252
Li8Mn3Fe5(BO3)8
5
true
-0.465806
-0.139366
1.284954
true
-0.334645
0.192988
['B', 'Fe', 'Li', 'Mn', 'O']
mp-775203
Li8ScFe7(SiO3)16
5
true
-0.93976
-0.178689
0.993938
true
-0.255758
1.19456
['Fe', 'Li', 'O', 'Sc', 'Si']
mp-774976
Li8Mn5Fe3(BO3)8
5
true
-0.512029
-0.159922
-0.706116
false
-0.386172
0.224983
['B', 'Fe', 'Li', 'Mn', 'O']
mp-775101
Li8TiFe7(PO4)12
5
true
-0.569539
-0.081065
-0.868213
false
-0.562479
1.454644
['Fe', 'Li', 'O', 'P', 'Ti']
mp-775268
Li8Mn7Fe(BO3)8
5
true
-0.562343
-0.181557
1.135925
true
-0.37108
0.211933
['B', 'Fe', 'Li', 'Mn', 'O']
mp-775378
Li8Mn3Fe5(BO3)8
5
true
-0.461591
-0.138254
1.185963
true
-0.379116
0.222868
['B', 'Fe', 'Li', 'Mn', 'O']
mp-775257
Li8Mn3Fe5(BO3)8
5
true
-0.462999
-0.138625
1.352867
true
-0.378869
0.222698
['B', 'Fe', 'Li', 'Mn', 'O']
mp-776113
Li8TiMn7(PO4)12
5
true
-0.630248
-0.115569
-0.755747
false
-0.516198
1.381891
['Li', 'Mn', 'O', 'P', 'Ti']
mp-776163
Li8NbFe7(PO4)12
5
true
-0.575952
-0.091178
-0.868213
false
-0.521045
1.471202
['Fe', 'Li', 'Nb', 'O', 'P']
mp-776162
Li8Mn7Ni(PO4)12
5
true
-0.504339
-0.074287
-0.868213
false
-0.48841
1.363049
['Li', 'Mn', 'Ni', 'O', 'P']
mp-776668
Li8Mn7Fe(PO4)12
5
true
-0.536451
-0.093025
-0.868213
false
-0.494915
1.366913
['Fe', 'Li', 'Mn', 'O', 'P']
mp-777316
Li8MnNi7(PO4)12
5
true
-0.232081
0.074982
-0.868213
false
-0.563497
1.50059
['Li', 'Mn', 'Ni', 'O', 'P']
mp-776746
Li8Fe7Sb(PO4)12
5
true
-0.507843
-0.050415
-0.868213
false
-0.476982
1.458005
['Fe', 'Li', 'O', 'P', 'Sb']
mp-777357
Li8Mn7Fe(BO3)8
5
true
-0.561321
-0.181288
1.197947
true
-0.417534
0.244139
['B', 'Fe', 'Li', 'Mn', 'O']
mp-776829
Li8Mn7Cr(PO4)12
5
true
-0.559142
-0.103526
-0.868213
false
-0.501455
1.369249
['Cr', 'Li', 'Mn', 'O', 'P']
mp-777583
Li8Mn3Fe5(BO3)8
5
true
-0.450043
-0.135209
1.347518
true
-0.377561
0.221802
['B', 'Fe', 'Li', 'Mn', 'O']
mp-777579
Li8Fe7Sn(PO4)12
5
true
-0.504895
-0.049181
-0.868213
false
-0.492613
1.474052
['Fe', 'Li', 'O', 'P', 'Sn']
mp-777727
Li8Mn7Fe(BO3)8
5
true
-0.562063
-0.181483
1.264506
true
-0.375406
0.214873
['B', 'Fe', 'Li', 'Mn', 'O']
mp-777649
Li8Mn7Fe(BO3)8
5
true
-0.561273
-0.181275
1.278928
true
-0.423268
0.248214
['B', 'Fe', 'Li', 'Mn', 'O']
mp-777438
Li8MnFe7(BO3)8
5
true
-0.414608
-0.117498
1.321043
true
-0.316904
0.184061
['B', 'Fe', 'Li', 'Mn', 'O']
mp-777729
Li8Mn7Fe(BO3)8
5
true
-0.562205
-0.181521
1.139514
true
-0.371924
0.212506
['B', 'Fe', 'Li', 'Mn', 'O']
mp-777765
Li8Mn5Fe3(BO3)8
5
true
-0.51361
-0.160339
1.218599
true
-0.343468
0.196131
['B', 'Fe', 'Li', 'Mn', 'O']
mp-777795
Li8Mn7Fe(BO3)8
5
true
-0.561328
-0.18129
1.086362
true
-0.282031
0.153952
['B', 'Fe', 'Li', 'Mn', 'O']