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-1094587
|
LiMg2
| 2
| false
| 2.154167
| 1.069562
| -0.868213
| false
| -1.552614
| -0.865516
|
['Li', 'Mg']
|
mp-1094599
|
LiMg5
| 2
| false
| 2.15461
| 0.983476
| -0.868213
| false
| -1.424726
| -0.858092
|
['Li', 'Mg']
|
mp-1094575
|
LiMg
| 2
| false
| 2.141242
| 1.152356
| -0.868213
| false
| -1.696857
| -0.867923
|
['Li', 'Mg']
|
mp-1094594
|
LiMg
| 2
| false
| 2.140477
| 1.152154
| -0.868213
| false
| -1.679453
| -0.875689
|
['Li', 'Mg']
|
mp-1094573
|
LiMg
| 2
| false
| 2.147621
| 1.154038
| -0.868213
| false
| -1.687273
| -0.87224
|
['Li', 'Mg']
|
mp-976239
|
LiMg
| 2
| false
| 2.116816
| 1.145914
| -0.868213
| false
| -1.645056
| -0.890118
|
['Li', 'Mg']
|
mp-1001790
|
LiO3
| 2
| false
| 1.484253
| 0.714998
| -0.814722
| false
| -1.085426
| -1.114352
|
['Li', 'O']
|
mp-1094596
|
LiMg3
| 2
| false
| 2.150723
| 1.025552
| -0.868213
| false
| -1.485791
| -0.987804
|
['Li', 'Mg']
|
mp-1001787
|
LiRh3
| 2
| false
| 2.010055
| -3.356563
| -0.868213
| false
| 4.093509
| -1.084778
|
['Li', 'Rh']
|
mp-30738
|
LiIr3
| 2
| false
| 1.929513
| -9.519458
| -0.868213
| false
| 9.338608
| -1.080127
|
['Ir', 'Li']
|
mp-1094589
|
LiMg
| 2
| false
| 2.141087
| 1.152315
| -0.868213
| false
| -1.677315
| -0.876621
|
['Li', 'Mg']
|
mp-1235185
|
LiO8
| 2
| false
| 1.707755
| 0.651473
| -0.868213
| false
| -1.017726
| -0.947892
|
['Li', 'O']
|
mp-1185370
|
LiMg
| 2
| false
| 2.11641
| 1.145807
| -0.868213
| false
| -1.652484
| -1.004117
|
['Li', 'Mg']
|
mp-1080576
|
LiB
| 2
| false
| 2.606115
| 0.814049
| -0.868213
| false
| -2.250817
| -0.356217
|
['B', 'Li']
|
mp-1094675
|
LiMg
| 2
| false
| 2.143812
| 1.153033
| -0.868213
| false
| -1.668833
| -0.999563
|
['Li', 'Mg']
|
mp-1018789
|
LiO2
| 2
| false
| 1.024331
| 0.667184
| -0.868213
| false
| -1.013305
| -1.07112
|
['Li', 'O']
|
mp-16726
|
LiB
| 2
| false
| 2.002314
| 0.65481
| -0.868213
| false
| -1.781148
| -0.925223
|
['B', 'Li']
|
mp-1094574
|
LiMg2
| 2
| false
| 2.152632
| 1.069157
| -0.868213
| false
| -1.560601
| -0.862378
|
['Li', 'Mg']
|
mp-1094579
|
LiMg2
| 2
| false
| 2.148215
| 1.067992
| -0.868213
| false
| -1.542753
| -0.869318
|
['Li', 'Mg']
|
mp-1094593
|
LiMg2
| 2
| false
| 2.140634
| 1.065993
| -0.868213
| false
| -1.53945
| -0.870575
|
['Li', 'Mg']
|
mp-1211097
|
LiFe
| 2
| true
| 2.479299
| 0.686903
| -0.868213
| false
| 0.331699
| -1.096343
|
['Fe', 'Li']
|
mp-1232339
|
LiC12
| 2
| false
| 2.167508
| -0.403917
| -0.868213
| false
| -1.028409
| -0.583539
|
['C', 'Li']
|
mp-973374
|
LiMg2
| 2
| false
| 2.141813
| 1.066304
| -0.868213
| false
| -1.544994
| -0.868461
|
['Li', 'Mg']
|
mp-1191883
|
LiTl
| 2
| false
| 1.990351
| -5.997505
| -0.868213
| false
| 2.588496
| 0.357761
|
['Li', 'Tl']
|
mp-1237690
|
LiTl
| 2
| false
| 1.977482
| -6.000899
| -0.868213
| false
| 2.683466
| 0.328572
|
['Li', 'Tl']
|
mp-1191737
|
LiAl
| 2
| false
| 2.103954
| 0.770727
| -0.868213
| false
| -1.53468
| 0.102028
|
['Al', 'Li']
|
mp-1222270
|
LiMg
| 2
| false
| 2.135329
| 1.150796
| -0.868213
| false
| -1.673739
| -1.118156
|
['Li', 'Mg']
|
mp-2362485
|
LiMg
| 2
| false
| 2.121739
| 1.147212
| -0.868213
| false
| -1.659208
| -0.884323
|
['Li', 'Mg']
|
mp-1378
|
LiC
| 2
| false
| 2.186391
| 0.499596
| 1.347721
| true
| -1.593998
| -1.105273
|
['C', 'Li']
|
mp-2034417
|
LiMg2
| 2
| false
| 2.115506
| 1.059366
| -0.868213
| false
| -1.51242
| -0.880543
|
['Li', 'Mg']
|
mp-1185380
|
LiMg
| 2
| false
| 2.114264
| 1.145241
| -0.868213
| false
| -1.646919
| -1.005627
|
['Li', 'Mg']
|
mp-1205309
|
LiB
| 2
| false
| 2.002493
| 0.654857
| -0.609968
| false
| -1.783256
| -1.081232
|
['B', 'Li']
|
mp-1094604
|
LiMg2
| 2
| false
| 2.144204
| 1.066934
| -0.868213
| false
| -1.54876
| -0.867011
|
['Li', 'Mg']
|
mp-1094609
|
LiMg5
| 2
| false
| 2.154545
| 0.983459
| -0.868213
| false
| -1.424528
| -0.858162
|
['Li', 'Mg']
|
mp-1100190
|
LiMg
| 2
| false
| 2.148074
| 1.154158
| -0.868213
| false
| -1.680362
| -0.875292
|
['Li', 'Mg']
|
mp-1235059
|
LiO8
| 2
| false
| 1.701856
| 0.649918
| -0.868213
| false
| -1.050138
| -0.941444
|
['Li', 'O']
|
mp-1235698
|
LiO8
| 2
| false
| 1.776365
| 0.669568
| -0.868213
| false
| -1.295007
| -0.881603
|
['Li', 'O']
|
mp-2766401
|
LiO8
| 2
| false
| 1.865541
| 0.414343
| -0.794274
| false
| -1.092358
| -0.932602
|
['Li', 'O']
|
mp-976244
|
LiMg
| 2
| false
| 2.120954
| 1.147005
| -0.868213
| false
| -1.652062
| -0.887273
|
['Li', 'Mg']
|
mp-9918
|
LiGe
| 2
| false
| 1.862777
| 1.082407
| -0.868213
| false
| 0.088587
| -0.45191
|
['Ge', 'Li']
|
mp-570363
|
LiSi
| 2
| false
| 2.219634
| 1.060129
| 0.068821
| true
| -1.713438
| -0.108364
|
['Li', 'Si']
|
mp-795
|
LiSi
| 2
| false
| 1.993399
| 1.000464
| -0.868213
| false
| -1.254709
| -0.521521
|
['Li', 'Si']
|
mp-1097058
|
LiMn2O4
| 3
| true
| -0.081673
| -0.141799
| -0.632651
| false
| 0.183921
| 2.638965
|
['Li', 'Mn', 'O']
|
mp-1097867
|
LiMn2O4
| 3
| true
| -0.098024
| -0.146111
| -0.60638
| false
| 0.172576
| 0.05969
|
['Li', 'Mn', 'O']
|
mp-1176651
|
LiMn6O12
| 3
| true
| 0.115088
| -0.206239
| -0.614099
| false
| 0.162726
| 0.665782
|
['Li', 'Mn', 'O']
|
mp-1176549
|
LiV3O6
| 3
| false
| -0.560739
| -0.316601
| -0.088807
| false
| 0.237466
| -0.640677
|
['Li', 'O', 'V']
|
mp-1178108
|
Li(FeO2)2
| 3
| true
| 0.430286
| 0.050585
| -0.868213
| false
| 0.239849
| -0.811889
|
['Fe', 'Li', 'O']
|
mp-1178332
|
Li(CoO2)2
| 3
| true
| 0.565815
| 0.197131
| -0.806191
| false
| 0.494024
| 0.375364
|
['Co', 'Li', 'O']
|
mp-1206066
|
LiC2O5
| 3
| false
| 0.50563
| 0.036177
| -0.867062
| false
| -1.649719
| -0.823943
|
['C', 'Li', 'O']
|
mp-1235366
|
Sr2LiO12
| 3
| false
| 1.064327
| 0.568538
| -0.83903
| false
| -0.469551
| -0.649603
|
['Li', 'O', 'Sr']
|
mp-1235496
|
Sr2LiO12
| 3
| false
| 1.039904
| 0.562097
| -0.854536
| false
| -0.589188
| -0.612929
|
['Li', 'O', 'Sr']
|
mp-1235106
|
LiNi9O13
| 3
| true
| 1.202101
| 0.364
| -0.868213
| false
| 1.073277
| -0.572628
|
['Li', 'Ni', 'O']
|
mp-1235283
|
Li(SiO2)6
| 3
| false
| -1.161594
| -0.200559
| -0.868213
| false
| -0.944768
| -0.484609
|
['Li', 'O', 'Si']
|
mp-1235382
|
Li(SiO2)6
| 3
| false
| -1.1423
| -0.195471
| -0.868213
| false
| -0.922431
| -0.495217
|
['Li', 'O', 'Si']
|
mp-1235094
|
LiTi8O16
| 3
| false
| -1.527722
| -0.538187
| -0.868213
| false
| 0.096496
| -0.442946
|
['Li', 'O', 'Ti']
|
mp-1235669
|
Sr2LiO12
| 3
| false
| 1.121814
| 0.583699
| -0.868213
| false
| -0.69138
| -0.577779
|
['Li', 'O', 'Sr']
|
mp-1233014
|
Li(Fe2O3)4
| 3
| true
| 0.510551
| -0.10955
| -0.102078
| false
| 0.808205
| -0.613719
|
['Fe', 'Li', 'O']
|
mp-1235333
|
LiTi8O16
| 3
| false
| -1.562308
| -0.547309
| -0.868213
| false
| 0.159517
| -0.461725
|
['Li', 'O', 'Ti']
|
mp-1236378
|
LiNi9O13
| 3
| true
| 1.401209
| 0.41651
| -0.868213
| false
| 1.160738
| -0.588489
|
['Li', 'Ni', 'O']
|
mp-1236154
|
LiV4O10
| 3
| false
| -0.399939
| -0.263584
| -0.038973
| false
| -1.032205
| -0.432929
|
['Li', 'O', 'V']
|
mp-1236363
|
Li(Fe2O3)4
| 3
| true
| 0.491687
| -0.114525
| 0.014789
| true
| 0.812657
| -0.614556
|
['Fe', 'Li', 'O']
|
mp-1272833
|
LiCr2O3
| 3
| false
| -0.23506
| -0.266971
| 0.253871
| true
| 0.475939
| -0.896538
|
['Cr', 'Li', 'O']
|
mp-1282759
|
LiFe2O3
| 3
| true
| 0.275229
| -0.017976
| -0.846817
| false
| 0.553414
| -0.889053
|
['Fe', 'Li', 'O']
|
mp-1311873
|
LiMnO2
| 3
| true
| -0.149558
| -0.021559
| -0.324504
| false
| 0.259881
| -0.368037
|
['Li', 'Mn', 'O']
|
mp-1393169
|
LiFeF4
| 3
| true
| -0.481314
| 0.539714
| 1.217718
| true
| -0.473835
| -0.800651
|
['F', 'Fe', 'Li']
|
mp-1391065
|
LiFe2F5
| 3
| true
| 1.647743
| 0.942626
| -0.103365
| false
| -0.139134
| -0.659816
|
['F', 'Fe', 'Li']
|
mp-1443175
|
LiV3O6
| 3
| false
| 2.89726
| 0.595372
| -0.868213
| false
| 0.241929
| -0.939898
|
['Li', 'O', 'V']
|
mp-1639950
|
LiMn2O3
| 3
| true
| -0.110435
| -0.186614
| -0.497029
| false
| 0.460345
| -0.525912
|
['Li', 'Mn', 'O']
|
mp-2348641
|
LiNiO2
| 3
| true
| 0.523654
| 0.401297
| -0.856025
| false
| 0.589011
| -0.934855
|
['Li', 'Ni', 'O']
|
mp-2766181
|
LiMn2F9
| 3
| true
| -0.751374
| -0.107425
| 0.68938
| true
| -0.43571
| -0.347543
|
['F', 'Li', 'Mn']
|
mp-674361
|
LiNbO3
| 3
| false
| -1.007208
| -0.285206
| 1.137415
| true
| 0.421325
| 0.380378
|
['Li', 'Nb', 'O']
|
mp-675069
|
LiNbO3
| 3
| false
| -1.010725
| -0.286134
| 1.176077
| true
| 0.44233
| 1.011663
|
['Li', 'Nb', 'O']
|
mp-676694
|
LiNbO3
| 3
| false
| -1.009453
| -0.285798
| 1.149128
| true
| 0.430136
| 0.698261
|
['Li', 'Nb', 'O']
|
mp-685266
|
LiMg7N5
| 3
| false
| 1.2507
| 0.145222
| -0.816415
| false
| -0.884726
| 1.690016
|
['Li', 'Mg', 'N']
|
mp-685413
|
LiNbO3
| 3
| false
| -0.891556
| -0.254705
| -0.868213
| false
| 0.362814
| 3.055757
|
['Li', 'Nb', 'O']
|
mp-686057
|
LiNbO3
| 3
| false
| -1.00633
| -0.284974
| 1.188874
| true
| 0.437991
| 0.04935
|
['Li', 'Nb', 'O']
|
mp-691187
|
LiPrS2
| 3
| false
| -0.018357
| 0.44723
| 0.513809
| true
| 0.030128
| -0.702522
|
['Li', 'Pr', 'S']
|
mp-706252
|
LiFe5O8
| 3
| true
| 0.327603
| -0.112473
| -0.166199
| false
| 0.60277
| 2.177556
|
['Fe', 'Li', 'O']
|
mp-753244
|
LiMn2F9
| 3
| true
| -0.644139
| 0.46319
| 0.674687
| true
| -0.684066
| -0.226348
|
['F', 'Li', 'Mn']
|
mp-753845
|
LiCuO2
| 3
| false
| 0.617024
| 0.547851
| -0.750466
| false
| -0.026478
| -0.708419
|
['Cu', 'Li', 'O']
|
mp-756006
|
LiSbS
| 3
| false
| 1.123124
| 0.850746
| -0.606921
| false
| -0.037386
| -0.82083
|
['Li', 'S', 'Sb']
|
mp-758700
|
LiMn2O4
| 3
| true
| -0.038565
| -0.13043
| -0.500279
| false
| 0.117559
| 0.086874
|
['Li', 'Mn', 'O']
|
mp-759500
|
LiCoF3
| 3
| true
| -0.669945
| 0.504169
| 1.050002
| true
| -0.125272
| -0.742092
|
['Co', 'F', 'Li']
|
mp-759977
|
LiVF4
| 3
| false
| -1.274462
| 0.300852
| -0.126995
| false
| -0.574591
| 0.537936
|
['F', 'Li', 'V']
|
mp-759816
|
LiVF4
| 3
| false
| -1.290382
| 0.296654
| 0.472303
| true
| -0.679846
| 0.17056
|
['F', 'Li', 'V']
|
mp-759990
|
LiMnF4
| 3
| true
| -1.054669
| 0.355041
| 0.497694
| true
| -0.359624
| 0.408031
|
['F', 'Li', 'Mn']
|
mp-760014
|
LiSbF4
| 3
| false
| -0.884196
| 0.643386
| 1.647404
| true
| -0.233587
| 3.379159
|
['F', 'Li', 'Sb']
|
mp-760180
|
LiMn2F7
| 3
| true
| -0.871908
| 0.333044
| -0.313739
| false
| -0.31522
| 1.684129
|
['F', 'Li', 'Mn']
|
mp-760354
|
LiFeF3
| 3
| true
| -0.830013
| 0.384392
| 1.314408
| true
| -0.300032
| -0.716303
|
['F', 'Fe', 'Li']
|
mp-760797
|
LiV24O58
| 3
| false
| -0.361518
| -0.328601
| -0.813639
| false
| -0.245804
| 1.819951
|
['Li', 'O', 'V']
|
mp-760773
|
LiCu2F7
| 3
| false
| 0.063039
| 0.221789
| -0.868213
| false
| 0.072786
| -0.574587
|
['Cu', 'F', 'Li']
|
mp-760832
|
LiTi2O4
| 3
| false
| -1.288779
| -0.355153
| -0.868213
| false
| -0.200758
| 0.846574
|
['Li', 'O', 'Ti']
|
mp-762514
|
LiMn3O6
| 3
| true
| 0.030728
| -0.167413
| -0.568327
| false
| 0.125494
| 0.065979
|
['Li', 'Mn', 'O']
|
mp-761262
|
LiCuF3
| 3
| false
| -0.397323
| 0.12183
| -0.590806
| false
| -0.008926
| -0.583842
|
['Cu', 'F', 'Li']
|
mp-762390
|
LiV5O10
| 3
| false
| -0.489813
| -0.345962
| 0.014247
| true
| -0.038297
| -0.690694
|
['Li', 'O', 'V']
|
mp-763655
|
LiMn3O6
| 3
| true
| -0.004404
| -0.176678
| -0.659125
| false
| 0.190687
| 0.034488
|
['Li', 'Mn', 'O']
|
mp-773043
|
Li(FeO2)2
| 3
| true
| 0.388129
| 0.039467
| -0.868213
| false
| 0.309668
| 0.424657
|
['Fe', 'Li', 'O']
|
mp-774032
|
LiCr2O4
| 3
| false
| -0.312877
| -0.24348
| -0.439475
| false
| 0.130369
| -0.387693
|
['Cr', 'Li', 'O']
|
mp-776764
|
LiFe2F5
| 3
| true
| -0.791418
| 0.29935
| 1.311564
| true
| -0.139135
| -0.659816
|
['F', 'Fe', 'Li']
|
mp-777167
|
LiTiO2
| 3
| false
| -1.037163
| -0.163776
| -0.868213
| false
| -0.071331
| 0.589627
|
['Li', 'O', 'Ti']
|
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