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-754024
LiTi2V3O10
4
false
-0.918165
-0.415829
0.116692
true
-0.087081
-0.137476
['Li', 'O', 'Ti', 'V']
mp-754127
LiCo2(PO4)2
4
true
-0.257626
-0.015423
-0.452679
false
-0.564733
-0.199524
['Co', 'Li', 'O', 'P']
mp-754332
LiFe7(OF3)3
4
true
-0.307202
0.104668
0.692359
true
0.312746
-0.536885
['F', 'Fe', 'Li', 'O']
mp-753681
LiV2OF5
4
false
-1.183321
0.111418
0.29707
true
-0.093743
-0.362278
['F', 'Li', 'O', 'V']
mp-753705
LiMn3(O2F)2
4
true
-0.317498
-0.083182
-0.527769
false
0.265896
-0.921679
['F', 'Li', 'Mn', 'O']
mp-753789
LiFe2(PO4)2
4
true
-0.389517
-0.10987
0.434995
true
-0.525366
-0.73913
['Fe', 'Li', 'O', 'P']
mp-753855
LiCr2(CO3)4
4
false
0.099208
-0.229495
-0.413746
false
-0.883565
-0.5455
['C', 'Cr', 'Li', 'O']
mp-754452
LiV6O7F5
4
false
-0.812698
-0.212097
-0.166605
false
0.185182
-0.619493
['F', 'Li', 'O', 'V']
mp-755130
LiV4O5F7
4
false
-0.906518
-0.003959
0.134229
true
-0.247493
-0.637147
['F', 'Li', 'O', 'V']
mp-755196
LiV4O5F7
4
false
-0.882121
0.002476
-0.22443
false
-0.24743
-0.637164
['F', 'Li', 'O', 'V']
mp-754849
LiV4O5F7
4
false
-0.91178
-0.005346
-0.283134
false
-0.256388
-0.634774
['F', 'Li', 'O', 'V']
mp-755088
LiV6O7F5
4
false
-0.81943
-0.213873
0.029346
true
0.17486
-0.617113
['F', 'Li', 'O', 'V']
mp-754467
LiV2(OF)3
4
false
-0.825233
0.010225
-0.160512
false
-0.230434
-0.937123
['F', 'Li', 'O', 'V']
mp-754519
LiNb(TeO4)3
4
false
0.196481
0.21125
0.182099
true
1.116603
-0.64122
['Li', 'Nb', 'O', 'Te']
mp-754565
LiFe6O7F5
4
true
-0.080611
0.037223
0.351847
true
0.461524
-0.64527
['F', 'Fe', 'Li', 'O']
mp-755366
LiCu2PO4
4
false
0.147201
0.296768
-0.420517
false
0.352594
-0.724706
['Cu', 'Li', 'O', 'P']
mp-756358
LiFe2O2F3
4
true
-0.37601
0.18882
0.430594
true
0.017965
-0.710998
['F', 'Fe', 'Li', 'O']
mp-755707
K3LiTi7O16
4
false
-1.396403
-0.331179
1.111753
true
-0.346913
-0.17686
['K', 'Li', 'O', 'Ti']
mp-755868
LiCu5(PO4)2
4
false
0.37928
0.318255
-0.539618
false
0.672045
-0.719181
['Cu', 'Li', 'O', 'P']
mp-756022
LiV6O7F5
4
false
-0.805977
-0.210325
-0.209059
false
0.155733
-0.612656
['F', 'Li', 'O', 'V']
mp-756353
LiFe3(OF3)2
4
true
-0.44076
0.245046
0.719782
true
-0.261348
-0.780772
['F', 'Fe', 'Li', 'O']
mp-756059
LiMn4(BO3)4
4
true
-0.446136
-0.301139
-0.642063
false
-0.428093
-0.526044
['B', 'Li', 'Mn', 'O']
mp-756912
LiZnBO3
4
false
-0.44308
0.227851
1.147436
true
-0.230577
-0.499485
['B', 'Li', 'O', 'Zn']
mp-757127
LiSi3BiO8
4
false
-0.899856
-0.074724
1.251776
true
0.215682
-0.229919
['Bi', 'Li', 'O', 'Si']
mp-757168
LiP4WO13
4
false
-0.599792
-0.159538
0.563914
true
-0.489456
0.422289
['Li', 'O', 'P', 'W']
mp-756975
LiCo2OF5
4
true
-0.187186
0.499889
-0.291259
false
0.223762
-0.407749
['Co', 'F', 'Li', 'O']
mp-757422
LiMn(SiO3)2
4
true
-0.893866
-0.194416
-0.362219
false
-0.294206
1.242051
['Li', 'Mn', 'O', 'Si']
mp-757684
LiFe4(BO3)4
4
true
-0.282024
-0.219614
0.22909
true
-0.388011
0.170122
['B', 'Fe', 'Li', 'O']
mp-757800
LiCuCO3
4
false
0.366559
0.180787
0.215209
true
-0.122054
0.340263
['C', 'Cu', 'Li', 'O']
mp-757797
LiTiP2O7
4
false
-0.953503
-0.1706
-0.724601
false
-0.49243
0.217411
['Li', 'O', 'P', 'Ti']
mp-757803
LiTi2V3O12
4
false
-0.839353
-0.364288
0.716125
true
-0.57443
1.729962
['Li', 'O', 'Ti', 'V']
mp-757952
LiCo2(CO3)3
4
true
0.348698
-0.079093
-0.57916
false
-0.479892
-0.274301
['C', 'Co', 'Li', 'O']
mp-758113
LiFe2(SiO4)2
4
true
-0.398775
-0.112751
-0.868213
false
-0.669107
0.345643
['Fe', 'Li', 'O', 'Si']
mp-758274
LiFe4(BO3)4
4
true
-0.278428
-0.218665
0.142963
true
-0.408031
0.183541
['B', 'Fe', 'Li', 'O']
mp-758505
LiCu3(CO3)3
4
false
0.56761
0.121214
-0.868213
false
-0.266121
0.38208
['C', 'Cu', 'Li', 'O']
mp-758492
LiSb3(PO5)2
4
false
-0.282646
0.111282
1.133623
true
0.53936
-0.61288
['Li', 'O', 'P', 'Sb']
mp-758620
LiCu2(CO3)3
4
false
0.527561
0.085461
-0.868213
false
-0.516121
-0.22708
['C', 'Cu', 'Li', 'O']
mp-758383
LiCu3(CO3)3
4
false
0.586021
0.126069
-0.868213
false
-0.177609
0.32057
['C', 'Cu', 'Li', 'O']
mp-758661
LiFe3OF5
4
true
-0.465656
0.20208
0.980057
true
0.106385
-0.537862
['F', 'Fe', 'Li', 'O']
mp-758869
LiV2(PO4)3
4
false
-0.731419
-0.196738
-0.047369
false
-0.555564
1.348202
['Li', 'O', 'P', 'V']
mp-758691
LiFe2(BO3)2
4
true
-0.320176
-0.178306
0.165984
true
-0.348631
0.165066
['B', 'Fe', 'Li', 'O']
mp-758705
LiFe2(BO3)2
4
true
-0.304123
-0.174073
-0.323286
false
-0.342524
0.161111
['B', 'Fe', 'Li', 'O']
mp-758730
LiFe2(BO3)2
4
true
-0.321825
-0.178741
0.146958
true
-0.344647
0.162484
['B', 'Fe', 'Li', 'O']
mp-758855
LiZnBO3
4
false
-0.467193
0.221491
1.539542
true
-0.204228
0.222291
['B', 'Li', 'O', 'Zn']
mp-759018
LiMn2(PO4)3
4
true
-0.40609
-0.113458
-0.586541
false
-0.419881
1.229329
['Li', 'Mn', 'O', 'P']
mp-759000
LiFe4(PO4)3
4
true
-0.350433
-0.169946
1.240198
true
-0.136484
0.155168
['Fe', 'Li', 'O', 'P']
mp-759049
LiMn3(O2F)2
4
true
-0.33272
-0.087197
-0.862254
false
0.274194
-0.922622
['F', 'Li', 'Mn', 'O']
mp-759371
LiFe2(BO3)2
4
true
-0.314939
-0.176925
0.168083
true
-0.346285
0.163544
['B', 'Fe', 'Li', 'O']
mp-759375
LiMn2(BO3)2
4
true
-0.500811
-0.26245
-0.379281
false
-0.418653
-0.518608
['B', 'Li', 'Mn', 'O']
mp-759207
LiSb(TeO4)3
4
false
0.476717
0.387089
0.07979
true
1.361087
-0.655012
['Li', 'O', 'Sb', 'Te']
mp-759237
LiFe2(BO3)2
4
true
-0.312112
-0.17618
0.159755
true
-0.313543
0.142641
['B', 'Fe', 'Li', 'O']
mp-759397
LiFe2(BO3)2
4
true
-0.323765
-0.179253
0.192865
true
-0.347258
0.164175
['B', 'Fe', 'Li', 'O']
mp-759474
LiFe2(BO3)2
4
true
-0.317726
-0.17766
0.123327
true
-0.348546
0.165011
['B', 'Fe', 'Li', 'O']
mp-759537
LiFe2(BO3)2
4
true
-0.322339
-0.178877
0.228413
true
-0.347077
0.164058
['B', 'Fe', 'Li', 'O']
mp-759608
LiFe2(PO4)3
4
true
-0.301435
-0.063548
-0.868213
false
-0.624187
1.509125
['Fe', 'Li', 'O', 'P']
mp-759711
LiCuCO3
4
false
0.393185
0.187809
0.124275
true
-0.176432
0.377058
['C', 'Cu', 'Li', 'O']
mp-759785
LiVOF2
4
false
-1.018051
0.123109
0.23471
true
-0.513196
0.200448
['F', 'Li', 'O', 'V']
mp-759622
LiFe2(BO3)2
4
true
-0.326872
-0.180072
0.334107
true
-0.348974
0.165289
['B', 'Fe', 'Li', 'O']
mp-759950
LiFe4(BO3)4
4
true
-0.276992
-0.218287
0.086425
true
-0.393138
0.173534
['B', 'Fe', 'Li', 'O']
mp-759895
LiFe2(BO3)2
4
true
-0.317088
-0.177492
0.109582
true
-0.34739
0.164261
['B', 'Fe', 'Li', 'O']
mp-760156
LiMnOF2
4
true
-0.683034
0.20693
-0.291801
false
-0.331449
0.127484
['F', 'Li', 'Mn', 'O']
mp-760189
LiVOF4
4
false
-0.958094
0.308023
1.173436
true
-0.724438
-0.160504
['F', 'Li', 'O', 'V']
mp-760227
LiFe2(BO3)2
4
true
-0.315368
-0.177038
0.447386
true
-0.340381
0.159728
['B', 'Fe', 'Li', 'O']
mp-760281
LiFe2(BO3)2
4
true
-0.321828
-0.178742
0.275403
true
-0.346556
0.16372
['B', 'Fe', 'Li', 'O']
mp-760257
LiFe2(BO3)2
4
true
-0.314247
-0.176743
0.106061
true
-0.361743
0.173634
['B', 'Fe', 'Li', 'O']
mp-760275
LiFe2(BO3)2
4
true
-0.318034
-0.177741
0.334852
true
-0.34609
0.163418
['B', 'Fe', 'Li', 'O']
mp-760248
LiFe2(BO3)2
4
true
-0.30686
-0.174795
-0.097
false
-0.372256
-0.528785
['B', 'Fe', 'Li', 'O']
mp-760284
LiFe2(BO3)2
4
true
-0.329773
-0.180837
0.368572
true
-0.351713
0.167071
['B', 'Fe', 'Li', 'O']
mp-760352
LiFe2(BO3)2
4
true
-0.317634
-0.177636
0.187042
true
-0.354304
0.168761
['B', 'Fe', 'Li', 'O']
mp-760280
LiFe2(BO3)2
4
true
-0.320606
-0.17842
-0.009993
false
-0.353056
0.167946
['B', 'Fe', 'Li', 'O']
mp-760310
LiFe2(BO3)2
4
true
-0.313909
-0.176654
0.118994
true
-0.333584
0.155361
['B', 'Fe', 'Li', 'O']
mp-760399
LiCo3OF5
4
true
-0.259001
0.372925
0.819992
true
0.374102
-0.910209
['Co', 'F', 'Li', 'O']
mp-760363
LiFe2OF3
4
true
-0.417342
0.20433
0.655728
true
0.012651
-0.26304
['F', 'Fe', 'Li', 'O']
mp-760546
LiCu2(CO3)2
4
false
0.487898
0.130899
-0.868213
false
-0.334218
-0.863412
['C', 'Cu', 'Li', 'O']
mp-760801
LiVOF2
4
false
-1.012195
0.124654
0.097868
true
-0.195509
0.623441
['F', 'Li', 'O', 'V']
mp-760664
LiCu(PO3)2
4
false
-0.299141
0.109897
-0.181298
false
-0.902639
-0.325811
['Cu', 'Li', 'O', 'P']
mp-760792
LiVOF2
4
false
-1.040769
0.117118
-0.138912
false
-0.390797
0.117324
['F', 'Li', 'O', 'V']
mp-761104
LiV2OF5
4
false
-1.178554
0.112675
0.401749
true
-0.28839
-0.603055
['F', 'Li', 'O', 'V']
mp-761192
LiFe2(BO3)2
4
true
-0.326364
-0.179938
0.313185
true
-0.349875
0.165875
['B', 'Fe', 'Li', 'O']
mp-761195
LiFe4(BO3)4
4
true
-0.274291
-0.217574
0.20011
true
-0.384548
0.167827
['B', 'Fe', 'Li', 'O']
mp-761206
LiFe8(BO3)8
4
true
-0.254697
-0.239971
-0.014597
false
-0.411222
0.175089
['B', 'Fe', 'Li', 'O']
mp-761207
LiFe2(BO3)2
4
true
-0.324331
-0.179402
0.193813
true
-0.354261
0.168732
['B', 'Fe', 'Li', 'O']
mp-761221
LiFe2(BO3)2
4
true
-0.320314
-0.178343
0.104707
true
-0.357591
0.17091
['B', 'Fe', 'Li', 'O']
mp-761224
LiFe2(BO3)2
4
true
-0.320174
-0.178306
0.329097
true
-0.341582
0.160503
['B', 'Fe', 'Li', 'O']
mp-761231
LiFe2(BO3)2
4
true
-0.33024
-0.18096
0.270596
true
-0.349256
0.165472
['B', 'Fe', 'Li', 'O']
mp-761212
LiFe4(BO3)4
4
true
-0.280258
-0.219148
0.159958
true
-0.373151
0.160325
['B', 'Fe', 'Li', 'O']
mp-761201
LiFe4(BO3)4
4
true
-0.283527
-0.22001
0.130031
true
-0.3986
0.177188
['B', 'Fe', 'Li', 'O']
mp-761225
LiFe4(BO3)4
4
true
-0.28438
-0.220235
0.35178
true
-0.389986
0.171435
['B', 'Fe', 'Li', 'O']
mp-761226
LiFe2(BO3)2
4
true
-0.32385
-0.179275
0.266601
true
-0.345822
0.163244
['B', 'Fe', 'Li', 'O']
mp-761230
LiFe2(BO3)2
4
true
-0.318208
-0.177787
-0.034301
false
-0.365892
0.176367
['B', 'Fe', 'Li', 'O']
mp-761255
LiFe4(BO3)4
4
true
-0.275199
-0.217814
0.03605
true
-0.392256
0.172946
['B', 'Fe', 'Li', 'O']
mp-761280
LiV(TeO4)3
4
false
0.396986
0.281493
0.130166
true
1.072908
-0.671523
['Li', 'O', 'Te', 'V']
mp-761922
LiNb(TeO4)3
4
false
0.200758
0.212378
0.223199
true
1.131665
-0.04923
['Li', 'Nb', 'O', 'Te']
mp-761244
LiFe2(BO3)2
4
true
-0.332005
-0.181426
0.295581
true
-0.355326
0.169428
['B', 'Fe', 'Li', 'O']
mp-761277
LiFe2(BO3)2
4
true
-0.320121
-0.178292
0.267617
true
-0.349036
0.165329
['B', 'Fe', 'Li', 'O']
mp-761235
LiFe4(BO3)4
4
true
-0.281145
-0.219382
-0.868213
false
-0.38496
0.168099
['B', 'Fe', 'Li', 'O']
mp-761256
LiFe4(BO3)4
4
true
-0.27524
-0.217825
0.182505
true
-0.365796
0.155526
['B', 'Fe', 'Li', 'O']
mp-761265
LiFe4(BO3)4
4
true
-0.277706
-0.218475
0.143776
true
-0.410365
0.185122
['B', 'Fe', 'Li', 'O']
mp-761549
LiMnPO4
4
true
-0.647312
-0.135681
1.549766
true
-0.340935
-0.773992
['Li', 'Mn', 'O', 'P']
mp-761801
LiV2CoO6
4
true
-0.128247
-0.145947
-0.262482
false
0.384594
-0.945742
['Co', 'Li', 'O', 'V']