material_id
stringlengths
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n_elements
int64
2
8
contains_transition_metal
bool
2 classes
formation_energy_per_atom
float64
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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-1639812
Li6V5SbO12
4
false
-0.377738
-0.016169
-0.854129
false
0.133304
0.243271
['Li', 'O', 'Sb', 'V']
mp-1639020
Li6Mn5SbO12
4
true
-0.153285
0.038304
-0.466762
false
0.163848
0.27431
['Li', 'Mn', 'O', 'Sb']
mp-753701
Li6V2OF11
4
false
-1.249044
0.402421
-0.070864
false
-0.5366
-0.638807
['F', 'Li', 'O', 'V']
mp-753243
Li6Fe5NiO12
4
true
0.208663
0.155628
-0.868213
false
0.415868
-0.611274
['Fe', 'Li', 'Ni', 'O']
mp-760070
Li6V3P8O29
4
false
-0.748621
-0.081158
-0.102078
false
-0.774782
2.114492
['Li', 'O', 'P', 'V']
mp-861187
Li6TiFe5O12
4
true
-0.153074
0.034655
0.196454
true
0.162626
-0.564855
['Fe', 'Li', 'O', 'Ti']
mp-863880
Li6VFe5O12
4
true
0.004622
0.061876
-0.859952
false
0.28795
-0.591496
['Fe', 'Li', 'O', 'V']
mp-1208758
Sr3Li6Ta2O11
4
false
-1.061014
0.010084
1.925216
true
1.022574
0.292261
['Li', 'O', 'Sr', 'Ta']
mp-1208770
Sr3Li6Nb2O11
4
false
-0.951302
0.08559
1.415363
true
0.359634
0.252103
['Li', 'Nb', 'O', 'Sr']
mp-759074
Li6Fe3Co5O16
4
true
0.355865
0.165445
-0.868213
false
0.410263
-0.403172
['Co', 'Fe', 'Li', 'O']
mp-765392
Li6Fe9CoO20
4
true
0.316561
0.06047
-0.868213
false
0.218349
-0.152303
['Co', 'Fe', 'Li', 'O']
mp-759582
Li6V2O5F2
4
false
-0.552576
0.267467
0.464245
true
-0.545156
-0.383768
['F', 'Li', 'O', 'V']
mp-765250
Li6V(SiO4)2
4
false
-0.703208
0.141988
0.365863
true
-0.765818
-0.219565
['Li', 'O', 'Si', 'V']
mp-766095
Li6Mn2O5F2
4
true
-0.39028
0.307248
-0.056306
false
-0.473335
-0.388718
['F', 'Li', 'Mn', 'O']
mp-753281
Li6NiOF6
4
true
-0.906997
0.601857
0.446167
true
-0.436098
0.187625
['F', 'Li', 'Ni', 'O']
mp-1174280
Li6Mn3CoO10
4
true
-0.032543
0.143954
-0.447871
false
0.107885
-0.716684
['Co', 'Li', 'Mn', 'O']
mp-1174363
Li6Mn3CoO10
4
true
-0.034773
0.143366
-0.664001
false
0.063564
-0.7077
['Co', 'Li', 'Mn', 'O']
mp-1174416
Li6Mn3CoO10
4
true
0.100613
0.179071
-0.868213
false
-0.009491
-0.692197
['Co', 'Li', 'Mn', 'O']
mp-1174304
Li6Mn3CoO10
4
true
-0.055132
0.137997
-0.178861
false
0.122208
-0.719522
['Co', 'Li', 'Mn', 'O']
mp-1174362
Li6Mn3CoO10
4
true
-0.03586
0.143079
-0.580515
false
0.061828
-0.707342
['Co', 'Li', 'Mn', 'O']
mp-1174388
Li6Mn3CoO10
4
true
0.105289
0.180304
-0.868213
false
-0.034872
-0.686597
['Co', 'Li', 'Mn', 'O']
mp-1174332
Li6Mn3CoO10
4
true
-0.005885
0.150985
-0.868213
false
0.079441
-0.710954
['Co', 'Li', 'Mn', 'O']
mp-1174282
Li6Mn3CoO10
4
true
-0.055491
0.137902
-0.432163
false
0.112672
-0.717636
['Co', 'Li', 'Mn', 'O']
mp-1174309
Li6Mn3CoO10
4
true
0.460956
0.274104
-0.868213
false
0.068523
-0.708721
['Co', 'Li', 'Mn', 'O']
mp-1174818
Li6Mn3CoO10
4
true
-0.055793
0.137822
-0.183127
false
0.121262
-0.719336
['Co', 'Li', 'Mn', 'O']
mp-1232438
Li6Mn3CoO10
4
true
-0.049657
0.139441
-0.212987
false
0.12389
-0.719854
['Co', 'Li', 'Mn', 'O']
mp-752667
Li6NbFe5O12
4
true
-0.095042
0.023292
0.306076
true
0.295333
-0.545194
['Fe', 'Li', 'Nb', 'O']
mp-752576
Li6Fe5WO12
4
true
0.052618
0.027697
0.241548
true
0.731054
-0.548346
['Fe', 'Li', 'O', 'W']
mp-755973
Li6Fe3Co3O16
4
true
0.504433
0.247669
-0.868213
false
0.008448
-0.420099
['Co', 'Fe', 'Li', 'O']
mp-759805
Li6Co5Ni3O16
4
true
0.636904
0.31761
-0.868213
false
0.820724
-0.497865
['Co', 'Li', 'Ni', 'O']
mp-760934
Li6Co3Ni5O16
4
true
0.627177
0.341221
-0.868213
false
0.790328
-0.491511
['Co', 'Li', 'Ni', 'O']
mp-760956
Li6Mn5Ni3O16
4
true
0.120488
0.083317
-0.693048
false
0.502213
-0.440845
['Li', 'Mn', 'Ni', 'O']
mp-771087
Li6V3W3O16
4
false
-0.331113
-0.172847
-0.276904
false
1.142329
-0.357832
['Li', 'O', 'V', 'W']
mp-771023
Li6Mn3Sb3O16
4
true
-0.081696
0.164976
-0.667183
false
0.363391
-0.313722
['Li', 'Mn', 'O', 'Sb']
mp-771042
Li6Nb3Fe3O16
4
true
-0.338857
-0.066994
-0.868213
false
0.022088
-0.295334
['Fe', 'Li', 'Nb', 'O']
mp-771508
Li6Fe3Sb3O16
4
true
0.078317
0.228689
-0.828196
false
0.344157
-0.304432
['Fe', 'Li', 'O', 'Sb']
mp-776075
Li6Nb3V3O16
4
false
-0.710141
-0.183996
-0.418485
false
-0.006653
-0.303364
['Li', 'Nb', 'O', 'V']
mp-773191
Li6Cr3Sb3O16
4
false
-0.168886
0.126717
-0.498044
false
0.344321
-0.317467
['Cr', 'Li', 'O', 'Sb']
mp-774880
Li6V3Sb3O16
4
false
-0.293701
0.111493
-0.436158
false
0.303118
-0.307587
['Li', 'O', 'Sb', 'V']
mp-850986
Li6Co6O5F11
4
true
-0.308755
0.420607
-0.705642
false
-0.04735
-0.346495
['Co', 'F', 'Li', 'O']
mp-1177017
Li6Fe3P8O29
4
true
-0.517548
-0.008601
-0.851963
false
-0.809149
2.237791
['Fe', 'Li', 'O', 'P']
mp-29630
Li7Ge2
2
false
1.820924
1.290117
-0.868213
false
-0.888487
-0.470619
['Ge', 'Li']
mp-30767
Li7Sn2
2
false
1.76037
1.313701
-0.868213
false
-0.499291
-0.325102
['Li', 'Sn']
mp-1176883
Li7Fe5O16
3
true
0.524938
0.279514
-0.868213
false
-0.209315
-0.423782
['Fe', 'Li', 'O']
mp-1402504
Li7(CoO3)2
3
true
2.60559
1.117229
-0.730695
false
-0.770137
-0.75398
['Co', 'Li', 'O']
mp-1639949
Li7Mn5O12
3
true
-0.187964
0.055998
-0.159767
false
0.087821
-0.60162
['Li', 'Mn', 'O']
mp-1642266
Li7Mn5O12
3
true
-0.185995
0.056518
-0.411037
false
0.082264
-0.600255
['Li', 'Mn', 'O']
mp-1643980
Li7Mn5O12
3
true
-0.186132
0.056481
-0.318884
false
0.085973
0.035815
['Li', 'Mn', 'O']
mp-1640981
Li7Mn5O12
3
true
-0.181151
0.057795
-0.180892
false
0.067861
-0.59669
['Li', 'Mn', 'O']
mp-1647928
Li7Mn5O12
3
true
-0.180337
0.05801
-0.400136
false
0.080471
-0.599814
['Li', 'Mn', 'O']
mp-1639930
Li7Mn5O12
3
true
-0.182231
0.05751
-0.206216
false
0.075365
0.041044
['Li', 'Mn', 'O']
mp-1651230
Li7Co5O12
3
true
0.305757
0.30883
-0.803415
false
0.369981
-0.045338
['Co', 'Li', 'O']
mp-1644001
Li7Mn5O12
3
true
-0.18546
0.056659
-0.149136
false
0.079624
0.03894
['Li', 'Mn', 'O']
mp-1640750
Li7Mn5O12
3
true
-0.181966
0.05758
-0.222331
false
0.07757
-0.599098
['Li', 'Mn', 'O']
mp-1977994
Li7Mn5O12
3
true
-0.177408
0.058782
-0.457418
false
0.079606
0.038949
['Li', 'Mn', 'O']
mp-1666632
Li7Co5O12
3
true
0.310693
0.310132
-0.707064
false
0.305591
-0.018051
['Co', 'Li', 'O']
mp-1652820
Li7Mn5O12
3
true
-0.181611
0.057674
-0.38937
false
0.063082
-0.595498
['Li', 'Mn', 'O']
mp-34375
Li7OsO6
3
false
-0.026435
0.406889
-0.401693
false
0.391204
-0.867808
['Li', 'O', 'Os']
mp-37839
Li7RuO6
3
false
-0.009244
0.451898
-0.437173
false
-0.251631
-0.889055
['Li', 'O', 'Ru']
mp-37436
Li7SbO6
3
false
-0.204878
0.506941
1.516792
true
-0.140368
-0.877431
['Li', 'O', 'Sb']
mp-38487
Li7BiO6
3
false
-0.007362
0.563984
0.436417
true
0.433469
-0.852686
['Bi', 'Li', 'O']
mp-531409
Li7Nb8O24
3
false
-0.959764
-0.298449
-0.868213
false
0.397331
1.35755
['Li', 'Nb', 'O']
mp-673706
Li7(Mo3Se4)4
3
false
1.209032
-2.772777
-0.868213
false
1.543792
0.711615
['Li', 'Mo', 'Se']
mp-675045
Li7VP4
3
false
1.816928
0.402659
-0.868213
false
-0.946764
-0.320609
['Li', 'P', 'V']
mp-675075
Li7Mn10O20
3
true
0.405772
0.046492
-0.685871
false
0.135948
-0.124803
['Li', 'Mn', 'O']
mp-677108
Li7(Mo3S4)4
3
false
0.930187
0.045474
-0.868213
false
0.723374
0.461821
['Li', 'Mo', 'S']
mp-685906
Li7(Ga3Te5)8
3
false
1.447612
1.055119
-0.868213
false
0.878453
5.226111
['Ga', 'Li', 'Te']
mp-686041
Li7Nb8O24
3
false
-0.951327
-0.296224
-0.868213
false
0.389874
0.063039
['Li', 'Nb', 'O']
mp-694974
Li7Mn16O32
3
true
-0.058125
-0.155682
-0.670839
false
0.18593
0.475466
['Li', 'Mn', 'O']
mp-755498
Li7(CoO3)2
3
true
0.171424
0.47527
-0.179199
false
-0.516624
-0.815583
['Co', 'Li', 'O']
mp-757971
Li7Cr2O8
3
false
-0.176805
0.25896
-0.504206
false
-0.819979
-0.705271
['Cr', 'Li', 'O']
mp-764763
Li7Mn4O12
3
true
-0.106851
0.130658
-0.868213
false
-0.067731
-0.633255
['Li', 'Mn', 'O']
mp-764768
Li7(CoO3)2
3
true
0.19335
0.481053
-0.138845
false
-0.770137
-0.75398
['Co', 'Li', 'O']
mp-771579
Li7W5O16
3
false
-0.270227
-0.162732
0.33255
true
1.788648
-0.324658
['Li', 'O', 'W']
mp-850281
Li7(CoO3)2
3
true
0.190619
0.480332
-0.082442
false
-0.559447
-0.806302
['Co', 'Li', 'O']
mp-1174403
Li7Co5O12
3
true
0.294043
0.305741
-0.641453
false
0.329585
-0.633257
['Co', 'Li', 'O']
mp-1174439
Li7Co5O12
3
true
0.335427
0.316655
-0.868213
false
0.253008
-0.616486
['Co', 'Li', 'O']
mp-1174431
Li7Co5O12
3
true
0.294883
0.305962
-0.696975
false
0.332568
-0.633892
['Co', 'Li', 'O']
mp-1174242
Li7Co5O12
3
true
0.346312
0.319526
-0.868213
false
0.278423
-0.622154
['Co', 'Li', 'O']
mp-1174391
Li7Co5O12
3
true
0.282574
0.302716
-0.388693
false
0.630375
-0.691211
['Co', 'Li', 'O']
mp-1175385
Li7Mn5O12
3
true
-0.138126
0.069142
-0.868213
false
0.085661
-0.60109
['Li', 'Mn', 'O']
mp-1175358
Li7Mn5O12
3
true
-0.129619
0.071386
-0.868213
false
0.04403
-0.590703
['Li', 'Mn', 'O']
mp-1175366
Li7Mn5O12
3
true
-0.138169
0.06913
-0.868213
false
0.100748
-0.604773
['Li', 'Mn', 'O']
mp-1175357
Li7Mn5O12
3
true
-0.16462
0.062155
-0.051228
false
0.078206
0.03964
['Li', 'Mn', 'O']
mp-1175368
Li7Mn5O12
3
true
-0.140982
0.068389
-0.868213
false
0.106619
-0.606194
['Li', 'Mn', 'O']
mp-1175363
Li7Mn5O12
3
true
-0.18732
0.056168
-0.273925
false
0.090258
0.033715
['Li', 'Mn', 'O']
mp-1640700
Li7Co5O12
3
true
0.253751
0.295115
-0.465611
false
0.445467
-0.075813
['Co', 'Li', 'O']
mp-2468835
Li7B18O
3
false
1.714001
0.444751
-0.868213
false
-1.303288
-0.548594
['B', 'Li', 'O']
mp-766483
Li7(Cu6S5)2
3
false
1.364058
0.858601
-0.868213
false
0.384318
1.271578
['Cu', 'Li', 'S']
mp-1222579
Li7MnAs4
3
true
1.647141
0.976859
-0.868213
false
-0.559978
-0.574505
['As', 'Li', 'Mn']
mp-849462
Li7(CoO3)2
3
true
0.230337
0.490807
-0.868213
false
-0.474284
-0.410602
['Co', 'Li', 'O']
mp-1105393
Li7(Eu2Bi3)2
3
false
1.388518
0.576154
-0.868213
false
2.269427
0.044348
['Bi', 'Eu', 'Li']
mp-1174401
Li7Co5O12
3
true
0.311399
0.310318
-0.868213
false
0.351062
-0.637799
['Co', 'Li', 'O']
mp-1174274
Li7Co5O12
3
true
0.291507
0.305072
-0.246367
false
0.330851
-0.633526
['Co', 'Li', 'O']
mp-1174196
Li7Co5O12
3
true
0.263131
0.297588
-0.86327
false
0.63231
-0.691548
['Co', 'Li', 'O']
mp-1174345
Li7Co5O12
3
true
0.342325
0.318474
-0.868213
false
0.261681
-0.618432
['Co', 'Li', 'O']
mp-1174365
Li7Co5O12
3
true
0.311087
0.310236
-0.520388
false
0.274043
-0.621185
['Co', 'Li', 'O']
mp-1174340
Li7Co5O12
3
true
0.38426
0.329534
-0.868213
false
0.373832
-0.64254
['Co', 'Li', 'O']
mp-1174342
Li7Co5O12
3
true
0.344429
0.319029
-0.868213
false
0.250596
-0.615943
['Co', 'Li', 'O']
mp-1174377
Li7Co5O12
3
true
0.284027
0.303099
-0.726293
false
0.395278
-0.646938
['Co', 'Li', 'O']