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-776429
LiV4O5F7
4
false
-0.896614
-0.001347
-0.428574
false
-0.247581
-0.637124
['F', 'Li', 'O', 'V']
mp-776457
LiV4OF11
4
false
-1.252521
0.111929
-0.194773
false
-0.304199
-0.604237
['F', 'Li', 'O', 'V']
mp-776502
LiTi2(PO4)3
4
false
-1.135531
-0.265001
0.941192
true
-0.647192
0.097476
['Li', 'O', 'P', 'Ti']
mp-776403
LiV6O7F5
4
false
-0.817871
-0.213461
0.067467
true
0.193119
-0.62131
['F', 'Li', 'O', 'V']
mp-776546
LiFe2OF5
4
true
-0.603958
0.303794
0.622686
true
0.04728
-0.373675
['F', 'Fe', 'Li', 'O']
mp-776433
LiV4O5F7
4
false
-0.904602
-0.003453
0.003887
true
-0.259127
-0.63404
['F', 'Li', 'O', 'V']
mp-776430
LiV4O5F7
4
false
-0.859231
0.008512
-0.145751
false
-0.28152
-0.627967
['F', 'Li', 'O', 'V']
mp-776867
LiV2(OF)3
4
false
-0.829426
0.009119
-0.242643
false
-0.204052
-0.345407
['F', 'Li', 'O', 'V']
mp-776909
LiFe2(BO3)2
4
true
-0.321269
-0.178595
0.387937
true
-0.366797
0.176965
['B', 'Fe', 'Li', 'O']
mp-776584
LiMn2(BO3)2
4
true
-0.495339
-0.261007
-0.629198
false
-0.435494
0.938006
['B', 'Li', 'Mn', 'O']
mp-776761
LiCr(SO4)2
4
false
-0.115485
0.071526
0.594722
true
-0.657763
0.066995
['Cr', 'Li', 'O', 'S']
mp-776824
LiV2OF5
4
false
-1.167945
0.115473
0.287726
true
-0.277845
1.290222
['F', 'Li', 'O', 'V']
mp-777289
LiV2(OF)3
4
false
-0.827293
0.009682
-0.11799
false
-0.222898
-0.338048
['F', 'Li', 'O', 'V']
mp-777054
LiV6O7F5
4
false
-0.81455
-0.212586
-0.137558
false
0.169291
-0.615822
['F', 'Li', 'O', 'V']
mp-777293
LiMn2(BO3)2
4
true
-0.496394
-0.261286
-0.52892
false
-0.414256
0.915944
['B', 'Li', 'Mn', 'O']
mp-777291
LiV4O5F7
4
false
-0.898094
-0.001737
-0.059218
false
-0.246924
-0.036448
['F', 'Li', 'O', 'V']
mp-777339
LiV3OF11
4
false
-1.078968
0.253898
-0.866656
false
-0.577448
0.039813
['F', 'Li', 'O', 'V']
mp-777467
LiMn2(BO3)2
4
true
-0.493155
-0.260431
-0.564603
false
-0.431223
0.933533
['B', 'Li', 'Mn', 'O']
mp-777405
LiMn2(BO3)2
4
true
-0.498332
-0.261797
-0.499398
false
-0.444679
0.947689
['B', 'Li', 'Mn', 'O']
mp-777575
LiV3OF11
4
false
-1.07563
0.254779
-0.859681
false
-0.582415
0.043108
['F', 'Li', 'O', 'V']
mp-777568
LiMn2(PO4)2
4
true
-0.597981
-0.195737
-0.868213
false
-0.224711
1.346618
['Li', 'Mn', 'O', 'P']
mp-777831
LiV4OF11
4
false
-1.26313
0.109131
-0.199445
false
-0.3096
0.032788
['F', 'Li', 'O', 'V']
mp-777854
LiV4OF11
4
false
-1.251834
0.11211
-0.868213
false
-0.267134
0.008715
['F', 'Li', 'O', 'V']
mp-777822
LiMn2(BO3)2
4
true
-0.493371
-0.260488
-0.456335
false
-0.417918
0.200428
['B', 'Li', 'Mn', 'O']
mp-777798
LiV6O7F5
4
false
-0.815942
-0.212953
-0.092531
false
0.186686
-0.619838
['F', 'Li', 'O', 'V']
mp-778177
LiV4OF11
4
false
-1.251978
0.112073
-0.31191
false
-0.313332
0.034948
['F', 'Li', 'O', 'V']
mp-778107
LiV4OF11
4
false
-1.260665
0.109781
-0.112438
false
-0.309953
0.032992
['F', 'Li', 'O', 'V']
mp-778253
LiV2(OF)3
4
false
-0.82116
0.011299
-0.255305
false
-0.24176
1.18209
['F', 'Li', 'O', 'V']
mp-778762
LiMn2(BO3)2
4
true
-0.497399
-0.261551
-0.635224
false
-0.438773
0.941453
['B', 'Li', 'Mn', 'O']
mp-778827
LiMn2(BO3)2
4
true
-0.497169
-0.26149
-0.506034
false
-0.427656
0.207158
['B', 'Li', 'Mn', 'O']
mp-778739
LiCu5(PO4)2
4
false
0.384857
0.319725
-0.56291
false
0.642563
-0.190504
['Cu', 'Li', 'O', 'P']
mp-778403
LiMn2(BO3)2
4
true
-0.501299
-0.262579
-0.604822
false
-0.413865
0.915543
['B', 'Li', 'Mn', 'O']
mp-779276
LiCu5(PO4)2
4
false
0.369643
0.315713
-0.425459
false
0.659032
-0.195951
['Cu', 'Li', 'O', 'P']
mp-778884
LiFeBO3
4
true
-0.33859
-0.093267
0.985474
true
-0.390958
0.41932
['B', 'Fe', 'Li', 'O']
mp-778879
LiV2OF5
4
false
-1.167039
0.115712
-0.180689
false
-0.275032
0.024444
['F', 'Li', 'O', 'V']
mp-779054
LiV2(OF)3
4
false
-0.831562
0.008556
-0.371563
false
-0.22519
-0.337144
['F', 'Li', 'O', 'V']
mp-779071
LiV2(OF)3
4
false
-0.828044
0.009483
-0.509149
false
-0.235525
-0.333049
['F', 'Li', 'O', 'V']
mp-779059
LiV4O5F7
4
false
-0.905917
-0.0038
-0.25043
false
-0.264015
-0.0273
['F', 'Li', 'O', 'V']
mp-779023
LiMn2(BO3)2
4
true
-0.494916
-0.260896
-0.530477
false
-0.393058
0.183527
['B', 'Li', 'Mn', 'O']
mp-779058
LiV2OF5
4
false
-1.165819
0.116033
-0.43372
false
-0.279244
0.026829
['F', 'Li', 'O', 'V']
mp-779241
LiCu5(PO4)2
4
false
0.401444
0.3241
-0.818853
false
0.655792
-0.194883
['Cu', 'Li', 'O', 'P']
mp-778861
LiV2OF5
4
false
-1.170049
0.114918
-0.107224
false
-0.095379
-0.06953
['F', 'Li', 'O', 'V']
mp-779579
LiCu5(PO4)2
4
false
0.397308
0.323009
-0.771253
false
0.645788
-0.191575
['Cu', 'Li', 'O', 'P']
mp-779588
LiCu2PO4
4
false
0.130361
0.292327
-0.421735
false
0.337371
-0.20577
['Cu', 'Li', 'O', 'P']
mp-779641
LiCu5(PO4)2
4
false
0.372651
0.316506
-0.568598
false
0.651587
-0.193496
['Cu', 'Li', 'O', 'P']
mp-779335
LiMn2(BO3)2
4
true
-0.491675
-0.260041
-0.739768
false
-0.433712
0.936138
['B', 'Li', 'Mn', 'O']
mp-779340
LiV4O5F7
4
false
-0.890506
0.000264
-0.868213
false
-0.267374
-0.025486
['F', 'Li', 'O', 'V']
mp-779475
LiMn2(BO3)2
4
true
-0.491695
-0.260046
-0.727918
false
-0.412667
0.914312
['B', 'Li', 'Mn', 'O']
mp-779759
LiV4OF11
4
false
-1.236866
0.116058
-0.868213
false
-0.321911
0.039942
['F', 'Li', 'O', 'V']
mp-779787
LiFeOF2
4
true
-0.529214
0.287653
0.416375
true
-0.103242
-0.615263
['F', 'Fe', 'Li', 'O']
mp-780334
LiMn2(BO3)2
4
true
-0.502801
-0.262975
-0.609291
false
-0.405128
0.191683
['B', 'Li', 'Mn', 'O']
mp-780388
LiMn3(BO3)3
4
true
-0.458801
-0.286223
-0.576655
false
-0.422929
-0.167298
['B', 'Li', 'Mn', 'O']
mp-780389
LiMn2(BO3)2
4
true
-0.501178
-0.262547
-0.653573
false
-0.409703
0.553035
['B', 'Li', 'Mn', 'O']
mp-780620
LiCr(Si2O5)2
4
false
-1.088577
-0.248812
0.57969
true
-0.756241
-0.02557
['Cr', 'Li', 'O', 'Si']
mp-780586
LiCoP2O7
4
true
-0.371013
0.003121
-0.145683
false
-0.533833
0.319811
['Co', 'Li', 'O', 'P']
mp-780460
LiMn3(BO3)3
4
true
-0.467001
-0.288385
-0.576249
false
-0.438024
-0.159494
['B', 'Li', 'Mn', 'O']
mp-780663
LiMn2(BO3)2
4
true
-0.503909
-0.263267
-0.540092
false
-0.434756
0.574668
['B', 'Li', 'Mn', 'O']
mp-780500
LiMn2(BO3)2
4
true
-0.495302
-0.260998
-0.868213
false
-0.418356
0.200729
['B', 'Li', 'Mn', 'O']
mp-780681
LiFe3(SiO4)2
4
true
-0.42747
-0.185405
-0.431147
false
-0.41542
0.410446
['Fe', 'Li', 'O', 'Si']
mp-780845
LiMn(PO3)3
4
true
-0.670461
-0.127123
1.691347
true
-0.670071
1.889206
['Li', 'Mn', 'O', 'P']
mp-781497
LiMn2(BO3)2
4
true
-0.489066
-0.259353
-0.626219
false
-0.42627
0.92837
['B', 'Li', 'Mn', 'O']
mp-781596
LiFeOF2
4
true
-0.549197
0.282383
0.306482
true
-0.268783
0.099675
['F', 'Fe', 'Li', 'O']
mp-781594
LiMn3(BO3)3
4
true
-0.460576
-0.286691
-0.745117
false
-0.426543
-0.16544
['B', 'Li', 'Mn', 'O']
mp-780706
LiMnP2O7
4
true
-0.644026
-0.122389
-0.254696
false
-0.539188
-0.470064
['Li', 'Mn', 'O', 'P']
mp-780764
LiCuP4O11
4
false
-0.369055
0.040223
-0.635563
false
-0.660025
1.332181
['Cu', 'Li', 'O', 'P']
mp-780849
LiMn2Cr2O8
4
true
-0.037592
-0.237103
-0.433652
false
0.174673
0.42963
['Cr', 'Li', 'Mn', 'O']
mp-781608
LiMn2(BO3)2
4
true
-0.501747
-0.262697
-0.591822
false
-0.412996
0.19705
['B', 'Li', 'Mn', 'O']
mp-781607
LiMn3(BO3)3
4
true
-0.461619
-0.286966
-0.556816
false
-0.419609
-0.169
['B', 'Li', 'Mn', 'O']
mp-781623
LiMn2(BO3)2
4
true
-0.493188
-0.26044
-0.868213
false
-0.405199
0.549201
['B', 'Li', 'Mn', 'O']
mp-782642
LiMn2(BO3)2
4
true
-0.495481
-0.261045
-0.542055
false
-0.409905
-0.163335
['B', 'Li', 'Mn', 'O']
mp-781673
LiMn2(BO3)2
4
true
-0.487972
-0.259064
-0.843702
false
-0.414195
0.556877
['B', 'Li', 'Mn', 'O']
mp-782644
LiMn3(BO3)3
4
true
-0.464599
-0.287752
-0.583968
false
-0.420467
-0.168561
['B', 'Li', 'Mn', 'O']
mp-782821
LiV2(OF)3
4
false
-0.821675
0.011163
-0.234518
false
-0.222566
-0.338178
['F', 'Li', 'O', 'V']
mp-781616
LiMn2(BO3)2
4
true
-0.48885
-0.259296
-0.722976
false
-0.408524
0.193995
['B', 'Li', 'Mn', 'O']
mp-782726
LiFeP2O7
4
true
-0.516045
-0.070384
0.12353
true
-0.482987
1.760461
['Fe', 'Li', 'O', 'P']
mp-787551
Na5LiV6O18
4
false
1.588705
0.485878
-0.533186
false
-0.647344
1.22775
['Li', 'Na', 'O', 'V']
mp-783911
LiV2OF5
4
false
-1.155469
0.118763
-0.073166
false
-0.281706
2.560981
['F', 'Li', 'O', 'V']
mp-805574
LiCrPO4
4
false
3.11685
0.836682
-0.868213
false
-0.66157
3.037798
['Cr', 'Li', 'O', 'P']
mp-807948
LiV4O5F7
4
false
3.499392
1.158005
-0.868213
false
-0.256388
-0.634774
['F', 'Li', 'O', 'V']
mp-807122
LiFe7(OF3)3
4
true
1.411115
0.557837
-0.651745
false
0.312746
-0.536886
['F', 'Fe', 'Li', 'O']
mp-807720
LiCoP2O7
4
true
4.705706
1.341996
-0.868213
false
-0.533833
0.319811
['Co', 'Li', 'O', 'P']
mp-807581
LiFeOF2
4
true
1.088162
0.714201
-0.868213
false
-0.103243
-0.615263
['F', 'Fe', 'Li', 'O']
mp-831266
LiFeP2O7
4
true
-0.505719
-0.067661
0.008424
true
-0.455303
1.720041
['Fe', 'Li', 'O', 'P']
mp-849301
LiMn2(BO3)2
4
true
-0.496593
-0.261338
-0.658584
false
-0.423108
-0.156532
['B', 'Li', 'Mn', 'O']
mp-849366
LiCo3OF5
4
true
-0.250634
0.375131
0.918035
true
0.339667
-0.574341
['Co', 'F', 'Li', 'O']
mp-849415
LiFeP2O7
4
true
-0.519408
-0.071271
0.090488
true
-0.492106
1.774018
['Fe', 'Li', 'O', 'P']
mp-849452
LiFeP2O7
4
true
-0.525955
-0.072998
0.312102
true
-0.505804
1.794614
['Fe', 'Li', 'O', 'P']
mp-849488
LiMn2(BO3)2
4
true
-0.495962
-0.261172
-0.662714
false
-0.425958
0.567013
['B', 'Li', 'Mn', 'O']
mp-849555
LiFeP2O7
4
true
-0.520936
-0.071674
0.317722
true
-0.484939
1.763351
['Fe', 'Li', 'O', 'P']
mp-849490
LiFeP2O7
4
true
-0.511844
-0.069276
0.088389
true
-0.4654
1.734656
['Fe', 'Li', 'O', 'P']
mp-849520
LiCo3(SiO4)2
4
true
-0.254533
-0.056694
-0.864692
false
-0.291631
0.358624
['Co', 'Li', 'O', 'Si']
mp-849557
LiFeP2O7
4
true
-0.516586
-0.070527
0.179459
true
-0.486688
1.765948
['Fe', 'Li', 'O', 'P']
mp-849605
LiMnP2O7
4
true
-0.585942
-0.107071
-0.551399
false
-0.494999
1.766788
['Li', 'Mn', 'O', 'P']
mp-849590
LiFe2(BO3)2
4
true
-0.323774
-0.179255
0.409942
true
-0.345511
0.163042
['B', 'Fe', 'Li', 'O']
mp-849622
LiFe4(BO3)4
4
true
-0.283694
-0.220054
0.278315
true
-0.380884
0.165406
['B', 'Fe', 'Li', 'O']
mp-849612
LiFe4(BO3)4
4
true
-0.284493
-0.220265
0.183792
true
-0.385012
0.168134
['B', 'Fe', 'Li', 'O']
mp-849620
LiFe4(BO3)4
4
true
-0.284379
-0.220235
0.294091
true
-0.382611
0.166546
['B', 'Fe', 'Li', 'O']
mp-849633
LiMn2(P2O7)2
4
true
-0.448401
-0.115437
-0.860359
false
-0.517322
1.755746
['Li', 'Mn', 'O', 'P']
mp-849639
LiV2OF5
4
false
-1.164474
0.116388
0.247845
true
-0.258066
-0.298341
['F', 'Li', 'O', 'V']
mp-849617
LiFe2(BO3)2
4
true
-0.32317
-0.179096
0.202886
true
-0.344321
0.162273
['B', 'Fe', 'Li', 'O']