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-762649
Na3LiMn5O9
4
true
-0.024826
-0.019692
-0.468929
false
0.263604
-0.665896
['Li', 'Mn', 'Na', 'O']
mp-763371
LiFe2(CO3)4
4
true
0.296315
-0.14138
-0.820748
false
-1.015248
-0.467913
['C', 'Fe', 'Li', 'O']
mp-762834
LiTi2Co3O10
4
true
-0.111625
-0.097009
-0.737262
false
0.246087
-0.726445
['Co', 'Li', 'O', 'Ti']
mp-763560
LiMn2(CO3)4
4
true
0.196423
-0.18886
-0.371359
false
-0.957693
-0.500238
['C', 'Li', 'Mn', 'O']
mp-763318
LiCo2(BO3)2
4
true
-0.138677
-0.059929
-0.253138
false
-0.235612
-0.896069
['B', 'Co', 'Li', 'O']
mp-763524
LiFe2(CO3)4
4
true
0.307488
-0.138434
-0.868213
false
-0.950521
0.238349
['C', 'Fe', 'Li', 'O']
mp-764519
LiFe2(BO3)2
4
true
-0.317627
-0.177634
0.194084
true
-0.341168
0.160236
['B', 'Fe', 'Li', 'O']
mp-764465
LiFe2(BO3)2
4
true
-0.329548
-0.180778
0.226855
true
-0.354135
0.16865
['B', 'Fe', 'Li', 'O']
mp-764514
LiFe2(BO3)2
4
true
-0.316155
-0.177246
0.207761
true
-0.354421
0.168837
['B', 'Fe', 'Li', 'O']
mp-764478
LiFe8(BO3)8
4
true
-0.255259
-0.240119
0.082634
true
-0.402312
0.169113
['B', 'Fe', 'Li', 'O']
mp-764508
LiFe2(BO3)2
4
true
-0.321133
-0.178559
0.30831
true
-0.344945
0.162676
['B', 'Fe', 'Li', 'O']
mp-764518
LiFe8(BO3)8
4
true
-0.256043
-0.240326
0.076404
true
-0.402785
0.169429
['B', 'Fe', 'Li', 'O']
mp-764620
LiFe4(BO3)4
4
true
-0.279024
-0.218822
0.282513
true
-0.394719
0.17459
['B', 'Fe', 'Li', 'O']
mp-764652
LiFe2(BO3)2
4
true
-0.322129
-0.178821
-0.032608
false
-0.356819
0.170405
['B', 'Fe', 'Li', 'O']
mp-764552
LiFe2(BO3)2
4
true
-0.333889
-0.181923
0.317992
true
-0.367238
0.177257
['B', 'Fe', 'Li', 'O']
mp-764720
LiFe2(BO3)2
4
true
-0.334872
-0.182182
0.351238
true
-0.360066
-0.532808
['B', 'Fe', 'Li', 'O']
mp-764573
LiFe2(BO3)2
4
true
-0.324392
-0.179418
0.269309
true
-0.340697
0.159932
['B', 'Fe', 'Li', 'O']
mp-764651
LiFe2(BO3)2
4
true
-0.322275
-0.17886
0.262132
true
-0.32817
0.151902
['B', 'Fe', 'Li', 'O']
mp-764589
LiFe2(BO3)2
4
true
-0.324501
-0.179447
0.320498
true
-0.355517
0.169553
['B', 'Fe', 'Li', 'O']
mp-764547
LiFe2(BO3)2
4
true
-0.323588
-0.179206
0.236605
true
-0.347953
0.164626
['B', 'Fe', 'Li', 'O']
mp-764566
LiFe8(BO3)8
4
true
-0.251634
-0.239163
-0.025295
false
-0.4032
0.169706
['B', 'Fe', 'Li', 'O']
mp-764624
LiFe2(BO3)2
4
true
-0.327151
-0.180146
0.345686
true
-0.358595
0.171568
['B', 'Fe', 'Li', 'O']
mp-764702
LiFe2(BO3)2
4
true
-0.321884
-0.178757
0.215209
true
-0.350226
0.166103
['B', 'Fe', 'Li', 'O']
mp-764587
LiFe2(BO3)2
4
true
-0.320533
-0.178401
0.128812
true
-0.337797
0.158065
['B', 'Fe', 'Li', 'O']
mp-764612
LiFe2(BO3)2
4
true
-0.323117
-0.179082
0.068212
true
-0.366583
0.176823
['B', 'Fe', 'Li', 'O']
mp-764679
LiFe2(BO3)2
4
true
-0.320832
-0.178479
0.278653
true
-0.341619
0.160526
['B', 'Fe', 'Li', 'O']
mp-764738
LiFe4(BO3)4
4
true
-0.283878
-0.220103
0.297544
true
-0.394975
0.174761
['B', 'Fe', 'Li', 'O']
mp-764723
LiFe4(BO3)4
4
true
-0.278099
-0.218579
0.062185
true
-0.389655
0.171214
['B', 'Fe', 'Li', 'O']
mp-764799
LiFe2(BO3)2
4
true
-0.320356
-0.178354
0.329774
true
-0.369358
0.178659
['B', 'Fe', 'Li', 'O']
mp-764885
LiFe8(BO3)8
4
true
-0.25241
-0.239367
-0.010061
false
-0.389178
0.160393
['B', 'Fe', 'Li', 'O']
mp-765223
LiV2OF5
4
false
-1.185458
0.110854
0.315149
true
-0.088137
-0.364307
['F', 'Li', 'O', 'V']
mp-765768
LiCo2OF3
4
true
-0.213576
0.368872
0.132333
true
0.231354
-0.311937
['Co', 'F', 'Li', 'O']
mp-766128
LiMn2(PO5)2
4
true
-0.234156
-0.080966
-0.833546
false
-0.248719
-0.27658
['Li', 'Mn', 'O', 'P']
mp-766412
LiCr2(PO4)2
4
false
-0.562328
-0.208253
-0.753242
false
-0.513277
0.21272
['Cr', 'Li', 'O', 'P']
mp-766397
LiCr2(PO5)2
4
false
-0.365628
-0.134635
-0.825894
false
-0.329903
-0.258082
['Cr', 'Li', 'O', 'P']
mp-766388
LiMn2(PO4)2
4
true
-0.578687
-0.190648
-0.633328
false
-0.294947
0.095231
['Li', 'Mn', 'O', 'P']
mp-766485
LiFe2(PO4)2
4
true
-0.38393
-0.108396
-0.196127
false
-0.311362
0.113133
['Fe', 'Li', 'O', 'P']
mp-766800
LiFe2(PO4)2
4
true
-0.421122
-0.118205
0.129557
true
-0.654548
1.964523
['Fe', 'Li', 'O', 'P']
mp-766625
LiFe2(BO3)2
4
true
-0.312092
-0.176174
-0.868213
false
-0.365993
0.176434
['B', 'Fe', 'Li', 'O']
mp-767070
LiLa5Ti8O24
4
false
-1.817904
-0.532703
0.606706
true
0.913016
0.138392
['La', 'Li', 'O', 'Ti']
mp-766880
LiCo2(PO4)2
4
true
-0.274963
-0.019995
-0.603739
false
-0.585077
1.910674
['Co', 'Li', 'O', 'P']
mp-767384
Ba2LiTi11O24
4
false
-1.631569
-0.505279
-0.868213
false
0.331102
0.108369
['Ba', 'Li', 'O', 'Ti']
mp-767433
LiV2OF5
4
false
-1.186769
0.110508
0.315081
true
-0.093811
-0.362254
['F', 'Li', 'O', 'V']
mp-767424
KLiSb3O8
4
false
0.044439
0.322682
-0.673006
false
0.771447
-0.183353
['K', 'Li', 'O', 'Sb']
mp-767427
LiFe2(BO3)2
4
true
-0.319998
-0.178259
0.124749
true
-0.352258
0.167426
['B', 'Fe', 'Li', 'O']
mp-767674
KLiSb3O8
4
false
0.040445
0.321628
-0.868213
false
0.82462
0.318808
['K', 'Li', 'O', 'Sb']
mp-768541
LiMn3(PO4)3
4
true
-0.571511
-0.215675
-0.746065
false
-0.231068
1.334282
['Li', 'Mn', 'O', 'P']
mp-768552
LiCrBO3
4
false
-0.509333
-0.195505
0.27696
true
-0.406572
0.378774
['B', 'Cr', 'Li', 'O']
mp-768495
LiMn2(PO4)2
4
true
-0.592964
-0.194414
-0.868213
false
-0.208494
1.328398
['Li', 'Mn', 'O', 'P']
mp-768447
LiMn3(PO4)3
4
true
-0.557763
-0.212049
-0.868213
false
-0.197446
0.029359
['Li', 'Mn', 'O', 'P']
mp-768758
LiCoBO3
4
true
-0.259329
-0.007728
0.693104
true
-0.277343
0.374894
['B', 'Co', 'Li', 'O']
mp-768474
LiMnBO3
4
true
-0.519825
-0.174527
0.598243
true
-0.469059
0.469939
['B', 'Li', 'Mn', 'O']
mp-768493
LiMn3(PO4)3
4
true
-0.571592
-0.215696
-0.685803
false
-0.232745
1.336176
['Li', 'Mn', 'O', 'P']
mp-768571
LiMn3(PO4)3
4
true
-0.571294
-0.215618
-0.698262
false
-0.231833
1.335146
['Li', 'Mn', 'O', 'P']
mp-769511
NaLiV2O6
4
false
-0.453726
-0.063741
1.236406
true
-0.648922
0.333371
['Li', 'Na', 'O', 'V']
mp-769572
LiAlVO4
4
false
-0.856662
-0.118438
0.109176
true
-0.215923
0.011357
['Al', 'Li', 'O', 'V']
mp-769573
LiTiVO4
4
false
-0.99953
-0.328129
0.150682
true
-0.072926
0.103031
['Li', 'O', 'Ti', 'V']
mp-769499
LiLa8V8O32
4
false
-1.256681
-0.405669
-0.071947
false
0.718108
0.787458
['La', 'Li', 'O', 'V']
mp-769589
LiV3CrO8
4
false
-0.442918
-0.32781
-0.0559
false
-0.037925
-0.356011
['Cr', 'Li', 'O', 'V']
mp-771819
LiFe(SO4)2
4
true
0.02672
0.137634
0.524372
true
-0.663454
0.09109
['Fe', 'Li', 'O', 'S']
mp-771941
LiV(SO4)2
4
false
-0.18076
0.068073
0.396807
true
-0.72401
0.109745
['Li', 'O', 'S', 'V']
mp-772138
LiFePO4
4
true
-0.500849
-0.068372
1.453416
true
-0.934109
0.047174
['Fe', 'Li', 'O', 'P']
mp-772428
LiV(SO4)3
4
false
0.072996
0.145099
0.029414
true
-0.901763
0.143279
['Li', 'O', 'S', 'V']
mp-772524
LiTi2(PO4)3
4
false
-1.120151
-0.260945
1.004365
true
-0.649912
0.09943
['Li', 'O', 'P', 'Ti']
mp-772502
LiFe(SiO3)2
4
true
-0.822206
-0.155439
0.89278
true
-0.336144
1.300632
['Fe', 'Li', 'O', 'Si']
mp-773112
LiMn(SO4)2
4
true
-0.017098
0.109346
-0.472653
false
-0.687325
0.103716
['Li', 'Mn', 'O', 'S']
mp-773007
LiCu5(PO4)2
4
false
0.386536
0.320168
-0.60252
false
0.651472
-0.193458
['Cu', 'Li', 'O', 'P']
mp-773074
LiZr2(PO4)3
4
false
-1.282412
-0.324764
2.104105
true
-0.508547
0.283019
['Li', 'O', 'P', 'Zr']
mp-773136
LiCu2PO4
4
false
0.133627
0.293188
-0.363708
false
0.346683
-0.209136
['Cu', 'Li', 'O', 'P']
mp-774381
LiFe4(BO3)4
4
true
-0.285933
-0.220645
0.336003
true
-0.382597
-0.535806
['B', 'Fe', 'Li', 'O']
mp-774465
LiMn(SO4)2
4
true
-0.021999
0.108054
-0.426814
false
-0.696489
0.1105
['Li', 'Mn', 'O', 'S']
mp-774464
LiCo(SO4)2
4
true
0.237366
0.225505
-0.420652
false
-0.613242
0.071562
['Co', 'Li', 'O', 'S']
mp-774457
LiNb7V12O48
4
false
-0.616315
-0.412149
0.230241
true
-0.223021
1.619748
['Li', 'Nb', 'O', 'V']
mp-774539
LiTi2(PO4)3
4
false
-1.13974
-0.266111
0.904967
true
-0.592216
1.356491
['Li', 'O', 'P', 'Ti']
mp-774590
LiNi(SO4)2
4
true
0.224181
0.254749
-0.868213
false
-0.651134
0.09703
['Li', 'Ni', 'O', 'S']
mp-774652
KLi(WO3)6
4
false
-0.238593
-0.419641
-0.868213
false
1.721257
-0.148358
['K', 'Li', 'O', 'W']
mp-774793
LiLa8Cu3O16
4
false
-1.202847
-0.155241
-0.868213
false
2.106367
-0.150498
['Cu', 'La', 'Li', 'O']
mp-775238
LiFe2(BO3)2
4
true
-0.323175
-0.179097
0.119874
true
-0.341732
0.1606
['B', 'Fe', 'Li', 'O']
mp-774894
Na5LiV6O18
4
false
-0.442317
-0.04976
1.292334
true
-0.647344
1.22775
['Li', 'Na', 'O', 'V']
mp-774910
LiSb(TeO4)3
4
false
0.476372
0.386998
0.070243
true
1.58113
-0.686383
['Li', 'O', 'Sb', 'Te']
mp-774925
RbLiMn3O4
4
true
0.114431
-0.048393
-0.212783
false
0.196736
-0.095625
['Li', 'Mn', 'O', 'Rb']
mp-775187
LiFe8(BO3)8
4
true
-0.254908
-0.240026
0.05406
true
-0.398074
0.166287
['B', 'Fe', 'Li', 'O']
mp-775902
LiV3OF11
4
false
-1.091224
0.250666
0.011674
true
-0.564621
0.031383
['F', 'Li', 'O', 'V']
mp-775901
LiV3OF11
4
false
-1.096201
0.249354
0.11764
true
-0.547921
0.020573
['F', 'Li', 'O', 'V']
mp-775872
LiCo3P4O15
4
true
-0.187444
-0.014281
-0.394381
false
-0.427972
2.138511
['Co', 'Li', 'O', 'P']
mp-775867
LiSbPO5
4
false
-0.391734
0.122772
0.242293
true
0.07189
1.145062
['Li', 'O', 'P', 'Sb']
mp-775904
LiV4O5F7
4
false
-0.878926
0.003318
-0.444486
false
-0.263259
-0.632928
['F', 'Li', 'O', 'V']
mp-775943
LiV2OF5
4
false
-1.167993
0.11546
0.29856
true
-0.267152
-0.294532
['F', 'Li', 'O', 'V']
mp-776068
LiVCrO4
4
false
-0.4661
-0.260299
0.06442
true
0.049024
-0.583993
['Cr', 'Li', 'O', 'V']
mp-776089
LiFe2OF5
4
true
-0.615329
0.300795
0.428224
true
-0.098731
-0.321308
['F', 'Fe', 'Li', 'O']
mp-776378
LiCuBO3
4
false
-0.051188
0.193893
-0.868213
false
-0.118748
0.32359
['B', 'Cu', 'Li', 'O']
mp-776355
LiV6O7F5
4
false
-0.808531
-0.210998
0.052029
true
0.184991
-0.619449
['F', 'Li', 'O', 'V']
mp-775976
LiNiBO3
4
true
-0.185622
0.077153
0.764538
true
-0.195515
0.314851
['B', 'Li', 'Ni', 'O']
mp-776292
LiNi(SO4)2
4
true
0.224006
0.254703
-0.868213
false
-0.675816
0.115006
['Li', 'Ni', 'O', 'S']
mp-776417
LiV6O7F5
4
false
-0.815087
-0.212727
-0.160241
false
0.144512
-0.610011
['F', 'Li', 'O', 'V']
mp-776469
LiMnP2O7
4
true
-0.576621
-0.104612
-0.592838
false
-0.479255
1.74348
['Li', 'Mn', 'O', 'P']
mp-776414
LiV4OF11
4
false
-1.259689
0.110039
-0.159157
false
-0.293836
-0.607203
['F', 'Li', 'O', 'V']
mp-776415
LiV2OF5
4
false
-1.170336
0.114842
0.191579
true
-0.264036
-0.295842
['F', 'Li', 'O', 'V']
mp-776385
LiV6O7F5
4
false
-0.808246
-0.210923
-0.198226
false
0.199763
-0.622823
['F', 'Li', 'O', 'V']
mp-776420
LiV2OF5
4
false
-1.169039
0.115184
-0.044525
false
-0.281142
-0.288607
['F', 'Li', 'O', 'V']