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-777802
Li8MnFe7(BO3)8
5
true
-0.417567
-0.118278
1.382456
true
-0.316672
0.18391
['B', 'Fe', 'Li', 'Mn', 'O']
mp-777788
Li8Mn7Fe(BO3)8
5
true
-0.562215
-0.181523
1.238708
true
-0.382422
0.219667
['B', 'Fe', 'Li', 'Mn', 'O']
mp-777768
Li8Mn7Fe(BO3)8
5
true
-0.561322
-0.181288
1.219614
true
-0.421186
0.246732
['B', 'Fe', 'Li', 'Mn', 'O']
mp-777943
Li8Mn3Fe5(BO3)8
5
true
-0.463213
-0.138682
1.34982
true
-0.380212
0.22362
['B', 'Fe', 'Li', 'Mn', 'O']
mp-777792
Li8Mn7Fe(BO3)8
5
true
-0.562045
-0.181478
1.267214
true
-0.379431
0.217619
['B', 'Fe', 'Li', 'Mn', 'O']
mp-777957
Li8Mn3Fe5(BO3)8
5
true
-0.464365
-0.138986
1.262
true
-0.338175
0.195315
['B', 'Fe', 'Li', 'Mn', 'O']
mp-778045
Li8Mn3Fe5(BO3)8
5
true
-0.463315
-0.138709
1.321923
true
-0.373389
0.21895
['B', 'Fe', 'Li', 'Mn', 'O']
mp-778083
Li8MnFe7(BO3)8
5
true
-0.417363
-0.118224
1.367154
true
-0.311467
0.180542
['B', 'Fe', 'Li', 'Mn', 'O']
mp-778203
Li8MnFe7(BO3)8
5
true
-0.413928
-0.117318
1.347179
true
-0.346937
0.203815
['B', 'Fe', 'Li', 'Mn', 'O']
mp-778158
Li8Mn3Fe5(BO3)8
5
true
-0.465726
-0.139345
-0.868213
false
-0.338384
0.195453
['B', 'Fe', 'Li', 'Mn', 'O']
mp-778135
Li8Mn7Fe(BO3)8
5
true
-0.561218
-0.18126
1.203364
true
-0.422783
0.247869
['B', 'Fe', 'Li', 'Mn', 'O']
mp-778174
Li8Mn5Fe3(BO3)8
5
true
-0.511968
-0.159906
1.190093
true
-0.401826
0.235852
['B', 'Fe', 'Li', 'Mn', 'O']
mp-777962
Li8Mn5Fe3(BO3)8
5
true
-0.504893
-0.15804
1.159962
true
-0.354068
0.203186
['B', 'Fe', 'Li', 'Mn', 'O']
mp-778205
Li8Mn7Fe(BO3)8
5
true
-0.560767
-0.181141
1.190838
true
-0.407527
0.237081
['B', 'Fe', 'Li', 'Mn', 'O']
mp-778004
Li8MnFe7(BO3)8
5
true
-0.416853
-0.11809
1.261797
true
-0.320686
0.186518
['B', 'Fe', 'Li', 'Mn', 'O']
mp-778297
Li8Mn7Fe(BO3)8
5
true
-0.562279
-0.18154
1.15028
true
-0.380367
0.218259
['B', 'Fe', 'Li', 'Mn', 'O']
mp-778302
Li8Mn5Fe3(BO3)8
5
true
-0.514411
-0.16055
1.212437
true
-0.349241
0.199965
['B', 'Fe', 'Li', 'Mn', 'O']
mp-778272
Li8Mn7Fe(BO3)8
5
true
-0.561255
-0.18127
1.182577
true
-0.419351
0.245428
['B', 'Fe', 'Li', 'Mn', 'O']
mp-778477
Li8Mn5Fe3(BO3)8
5
true
-0.511728
-0.159843
1.271683
true
-0.40584
0.238665
['B', 'Fe', 'Li', 'Mn', 'O']
mp-778495
Li8Mn7Fe(BO3)8
5
true
-0.562157
-0.181508
1.234781
true
-0.386158
0.222232
['B', 'Fe', 'Li', 'Mn', 'O']
mp-778721
Li8Mn7Fe(BO3)8
5
true
-0.562121
-0.181499
1.235729
true
-0.379797
0.21787
['B', 'Fe', 'Li', 'Mn', 'O']
mp-778754
Li8MnFe7(BO3)8
5
true
-0.417895
-0.118364
1.392071
true
-0.316545
0.183827
['B', 'Fe', 'Li', 'Mn', 'O']
mp-778882
Li8Mn5Fe3(BO3)8
5
true
-0.509652
-0.159295
-0.817837
false
-0.393284
0.229901
['B', 'Fe', 'Li', 'Mn', 'O']
mp-779074
Li8Mn7Fe(BO3)8
5
true
-0.560884
-0.181172
1.188062
true
-0.425075
0.249503
['B', 'Fe', 'Li', 'Mn', 'O']
mp-778755
Li8MnFe7(BO3)8
5
true
-0.41324
-0.117137
1.248255
true
-0.360703
0.213055
['B', 'Fe', 'Li', 'Mn', 'O']
mp-779053
Li8Mn3Fe5(BO3)8
5
true
-0.463302
-0.138706
1.197609
true
-0.388418
0.229276
['B', 'Fe', 'Li', 'Mn', 'O']
mp-779520
Li8Mn7Fe(BO3)8
5
true
-0.561245
-0.181268
1.095909
true
-0.426323
0.250394
['B', 'Fe', 'Li', 'Mn', 'O']
mp-779765
Li8Mn5Fe3(BO3)8
5
true
-0.503509
-0.157675
1.282923
true
-0.386355
0.225109
['B', 'Fe', 'Li', 'Mn', 'O']
mp-778844
Li8MnFe7(BO3)8
5
true
-0.413326
-0.117159
1.209525
true
-0.316005
0.183478
['B', 'Fe', 'Li', 'Mn', 'O']
mp-778883
Li8Mn3Fe5(BO3)8
5
true
-0.465699
-0.139338
1.282516
true
-0.335001
0.193222
['B', 'Fe', 'Li', 'Mn', 'O']
mp-780470
Li8Mn3Fe5(BO3)8
5
true
-0.463379
-0.138726
1.335533
true
-0.382611
0.225269
['B', 'Fe', 'Li', 'Mn', 'O']
mp-780298
Li8Mn7Fe(BO3)8
5
true
-0.562243
-0.181531
1.147977
true
-0.381734
0.219195
['B', 'Fe', 'Li', 'Mn', 'O']
mp-780440
Li8MnFe7(BO3)8
5
true
-0.414644
-0.117507
1.350497
true
-0.347775
0.204374
['B', 'Fe', 'Li', 'Mn', 'O']
mp-780292
Li8Mn5Fe3(BO3)8
5
true
-0.50389
-0.157776
1.167681
true
-0.359468
0.206807
['B', 'Fe', 'Li', 'Mn', 'O']
mp-780436
Li8Mn5Fe3(BO3)8
5
true
-0.511665
-0.159826
1.296735
true
-0.396894
0.23241
['B', 'Fe', 'Li', 'Mn', 'O']
mp-780716
Li8Mn7V(PO4)12
5
true
-0.583602
-0.107804
-0.859275
false
-0.521042
1.393237
['Li', 'Mn', 'O', 'P', 'V']
mp-780785
Li8Fe7Co(PO4)12
5
true
-0.446043
-0.045586
-0.868213
false
-0.54852
1.453581
['Co', 'Fe', 'Li', 'O', 'P']
mp-780795
Li8CrFe7(PO4)12
5
true
-0.483323
-0.065037
-0.868213
false
-0.551529
1.446349
['Cr', 'Fe', 'Li', 'O', 'P']
mp-780717
Li8Mn7Nb(PO4)12
5
true
-0.630883
-0.124157
-0.743763
false
-0.497272
1.429064
['Li', 'Mn', 'Nb', 'O', 'P']
mp-780776
Li8Fe7Ni(PO4)12
5
true
-0.434099
-0.03727
-0.868213
false
-0.567964
1.480146
['Fe', 'Li', 'Ni', 'O', 'P']
mp-780940
Li8MnFe7(BO3)8
5
true
-0.352286
-0.101062
-0.865775
false
-0.351446
0.206829
['B', 'Fe', 'Li', 'Mn', 'O']
mp-780799
Li8Mn5Fe3(BO3)8
5
true
-0.512048
-0.159927
-0.866723
false
-0.396523
0.232151
['B', 'Fe', 'Li', 'Mn', 'O']
mp-850226
Li8Mn7Fe(BO3)8
5
true
-0.561086
-0.181226
1.184337
true
-0.414571
0.242043
['B', 'Fe', 'Li', 'Mn', 'O']
mp-850260
Li8MnFe7(BO3)8
5
true
-0.413009
-0.117076
1.30723
true
-0.359793
0.21244
['B', 'Fe', 'Li', 'Mn', 'O']
mp-850743
Li8MnFe7(BO3)8
5
true
-0.417554
-0.118274
1.318673
true
-0.312359
0.181118
['B', 'Fe', 'Li', 'Mn', 'O']
mp-760152
Li8VCo3(PO4)6
5
true
-0.488868
0.0489
-0.860833
false
-0.529835
0.144577
['Co', 'Li', 'O', 'P', 'V']
mp-759457
Li8NbNi3(PO4)6
5
true
-0.565521
0.049702
-0.671923
false
-0.473396
0.17124
['Li', 'Nb', 'Ni', 'O', 'P']
mp-760785
Li8VNi3(PO4)6
5
true
-0.545033
0.062134
0.206949
true
-0.452961
0.091758
['Li', 'Ni', 'O', 'P', 'V']
mp-775125
Li8Fe3Sn(PO4)6
5
true
-0.527936
0.04595
0.663312
true
-0.520113
0.232179
['Fe', 'Li', 'O', 'P', 'Sn']
mp-780178
Li8TiMn3(PO4)6
5
true
-0.762221
-0.057024
0.226043
true
-0.691236
0.240766
['Li', 'Mn', 'O', 'P', 'Ti']
mp-555626
Na2Li8U11(WO22)2
5
false
-1.326972
-0.481879
0.012419
true
2.051977
1.428612
['Li', 'Na', 'O', 'U', 'W']
mp-774516
Li8Mg3Cu9(SiO3)16
5
false
-0.68528
0.040747
-0.705574
false
-0.139022
1.357578
['Cu', 'Li', 'Mg', 'O', 'Si']
mp-775186
Li8Sc5Fe3(SiO3)16
5
true
-1.259934
-0.232118
1.11182
true
-0.446912
1.3523
['Fe', 'Li', 'O', 'Sc', 'Si']
mp-861717
Li8MnFe7(PO4)8
5
true
-0.575839
-0.091734
1.759396
true
-0.198816
0.513084
['Fe', 'Li', 'Mn', 'O', 'P']
mp-782001
Li8La4TiNb7O28
5
false
-1.272806
-0.321181
-0.868213
false
0.792753
0.469276
['La', 'Li', 'Nb', 'O', 'Ti']
mp-849430
Li8MnFe7(PO4)8
5
true
-0.575734
-0.091707
1.77463
true
-0.195236
0.510374
['Fe', 'Li', 'Mn', 'O', 'P']
mp-568404
Li9Al4
2
false
1.986213
0.982138
-0.868213
false
-1.627505
-0.6181
['Al', 'Li']
mp-2362521
Li9Ge4
2
false
1.788903
1.214365
-0.868213
false
-0.595974
-0.054186
['Ge', 'Li']
mp-1222549
Li9Ag4
2
false
2.027387
-0.312558
-0.868213
false
-0.0745
0.063579
['Ag', 'Li']
mp-27932
Li9Ge4
2
false
1.792447
1.2153
-0.868213
false
-0.54237
-0.086455
['Ge', 'Li']
mp-1175482
Li9Co7O16
3
true
0.342968
0.302853
-0.868213
false
0.33372
-0.413242
['Co', 'Li', 'O']
mp-1176824
Li9V8F48
3
false
-1.069843
0.445459
-0.571712
false
-0.767226
1.306973
['F', 'Li', 'V']
mp-1175376
Li9Co7O16
3
true
0.281392
0.286614
-0.087656
false
0.404375
-0.433246
['Co', 'Li', 'O']
mp-531804
Li9Mn15O32
3
true
-0.093948
-0.107456
-0.476648
false
0.147903
0.45042
['Li', 'Mn', 'O']
mp-531942
Li9Ni23O32
3
true
0.685143
0.321034
-0.868213
false
1.205934
0.423636
['Li', 'Ni', 'O']
mp-690161
Li9Mn20O40
3
true
-0.073521
-0.155666
-0.529935
false
0.179643
0.910949
['Li', 'Mn', 'O']
mp-728514
Li9Co9O17
3
true
0.439211
0.282633
-0.282592
false
0.428526
-0.293674
['Co', 'Li', 'O']
mp-758645
Li9Co13O28
3
true
0.508437
0.231056
-0.833681
false
0.564867
0.094121
['Co', 'Li', 'O']
mp-758732
Li9Co13O28
3
true
0.508992
0.231203
-0.860155
false
0.56759
0.092942
['Co', 'Li', 'O']
mp-769450
Li9Mn15O32
3
true
-0.096575
-0.108149
-0.476242
false
0.131394
0.460977
['Li', 'Mn', 'O']
mp-776279
Li9V19O48
3
false
-0.481564
-0.219475
-0.044796
false
-0.296777
1.369579
['Li', 'O', 'V']
mp-776365
Li9Mn21O40
3
true
-0.095942
-0.175626
-0.620599
false
0.217664
0.945617
['Li', 'Mn', 'O']
mp-780186
Li9Mn10O20
3
true
-0.140649
-0.044004
-0.59514
false
0.188524
-0.129993
['Li', 'Mn', 'O']
mp-780203
Li9(FeO4)2
3
true
0.056781
0.428201
-0.850541
false
-0.830727
-0.083071
['Fe', 'Li', 'O']
mp-851096
Li9Cr19O48
3
false
-0.000869
-0.133986
-0.832598
false
-0.241584
1.334454
['Cr', 'Li', 'O']
mp-851274
Li9Cr19O48
3
false
0.010855
-0.130894
-0.639557
false
-0.239252
1.331811
['Cr', 'Li', 'O']
mp-1100481
Li9Mn7O16
3
true
-0.184738
0.034927
-0.263363
false
0.123147
-0.381335
['Li', 'Mn', 'O']
mp-1100581
Li9Mn7O16
3
true
-0.183818
0.03517
-0.241763
false
0.108957
-0.376691
['Li', 'Mn', 'O']
mp-1100477
Li9Mn7O16
3
true
-0.167176
0.039559
-0.073843
false
0.109029
-0.376715
['Li', 'Mn', 'O']
mp-1100476
Li9Mn7O16
3
true
-0.157054
0.042229
-0.858124
false
0.119761
-0.380231
['Li', 'Mn', 'O']
mp-1100483
Li9Mn7O16
3
true
-0.168547
0.039198
-0.267967
false
0.111378
-0.377487
['Li', 'Mn', 'O']
mp-1100482
Li9Mn7O16
3
true
-0.170648
0.038643
-0.162137
false
0.102085
-0.374424
['Li', 'Mn', 'O']
mp-1100580
Li9Mn7O16
3
true
-0.169361
0.038983
-0.045134
false
0.11692
-0.379303
['Li', 'Mn', 'O']
mp-1100479
Li9Mn7O16
3
true
-0.167316
0.039522
-0.072421
false
0.258339
-0.423191
['Li', 'Mn', 'O']
mp-1175463
Li9Co7O16
3
true
0.330358
0.299528
-0.868213
false
0.345994
-0.416788
['Co', 'Li', 'O']
mp-1175396
Li9Co7O16
3
true
0.315453
0.295597
-0.721554
false
0.346895
-0.417047
['Co', 'Li', 'O']
mp-1175392
Li9Co7O16
3
true
0.2946
0.290097
-0.538128
false
0.708267
-0.509272
['Co', 'Li', 'O']
mp-1175459
Li9Co7O16
3
true
0.323876
0.297818
-0.868213
false
0.355127
-0.419407
['Co', 'Li', 'O']
mp-1175506
Li9Co7O16
3
true
0.264755
0.282226
-0.851759
false
0.702882
-0.50805
['Co', 'Li', 'O']
mp-1175491
Li9Co7O16
3
true
0.368118
0.309486
-0.688241
false
0.31163
-0.406781
['Co', 'Li', 'O']
mp-1175394
Li9Co7O16
3
true
0.304568
0.292726
-0.352468
false
0.343894
-0.416183
['Co', 'Li', 'O']
mp-1175449
Li9Co7O16
3
true
0.313001
0.29495
-0.868213
false
0.424388
-0.438738
['Co', 'Li', 'O']
mp-1175450
Li9Co7O16
3
true
0.304432
0.29269
-0.286248
false
0.368158
-0.423115
['Co', 'Li', 'O']
mp-1175529
Li9Co7O16
3
true
0.31619
0.295791
-0.376844
false
0.326462
-0.41113
['Co', 'Li', 'O']
mp-768425
Li9(CoO4)2
3
true
0.157775
0.495658
-0.456944
false
-0.730981
-0.12558
['Co', 'Li', 'O']
mp-1100490
Li9Mn7O16
3
true
-0.157036
0.042233
-0.860562
false
0.115908
-0.378972
['Li', 'Mn', 'O']
mp-1100488
Li9Mn7O16
3
true
-0.162724
0.040733
-0.868213
false
0.100281
-0.373827
['Li', 'Mn', 'O']
mp-1100495
Li9Mn7O16
3
true
-0.163579
0.040508
-0.867468
false
0.114058
-0.378366
['Li', 'Mn', 'O']
mp-1100499
Li9Mn7O16
3
true
-0.182805
0.035437
-0.213867
false
0.122038
-0.380974
['Li', 'Mn', 'O']
mp-1100489
Li9Mn7O16
3
true
-0.156838
0.042286
-0.868213
false
0.117545
-0.379508
['Li', 'Mn', 'O']