material_id
stringlengths
6
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formula_pretty
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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-1175254
Li7Mn4CoO12
4
true
-0.052426
0.116268
-0.853384
false
0.146335
-0.61082
['Co', 'Li', 'Mn', 'O']
mp-1175259
Li7Mn4CoO12
4
true
-0.07375
0.110644
-0.449496
false
0.133132
-0.607685
['Co', 'Li', 'Mn', 'O']
mp-1175264
Li7Mn4CoO12
4
true
-0.076706
0.109865
-0.415709
false
0.117782
-0.604001
['Co', 'Li', 'Mn', 'O']
mp-1175202
Li7Mn4CoO12
4
true
-0.076185
0.110002
-0.530139
false
0.155188
-0.612904
['Co', 'Li', 'Mn', 'O']
mp-1175214
Li7Mn4CoO12
4
true
-0.104841
0.102445
-0.353213
false
0.166595
-0.61557
['Co', 'Li', 'Mn', 'O']
mp-1175215
Li7Mn4CoO12
4
true
-0.084484
0.107814
-0.868213
false
0.133938
-0.607877
['Co', 'Li', 'Mn', 'O']
mp-1175246
Li7Mn4CoO12
4
true
-0.08841
0.106778
-0.309473
false
0.138872
-0.609052
['Co', 'Li', 'Mn', 'O']
mp-1175255
Li7Mn4CoO12
4
true
-0.047237
0.117637
-0.868213
false
0.10173
-0.600102
['Co', 'Li', 'Mn', 'O']
mp-1175222
Li7Mn4CoO12
4
true
-0.096333
0.104689
-0.280832
false
0.129678
-0.60686
['Co', 'Li', 'Mn', 'O']
mp-1175239
Li7Mn4CoO12
4
true
-0.090637
0.106191
-0.276904
false
0.14289
-0.610005
['Co', 'Li', 'Mn', 'O']
mp-1175243
Li7Mn4CoO12
4
true
-0.068459
0.11204
-0.444621
false
0.135742
-0.608307
['Co', 'Li', 'Mn', 'O']
mp-1175203
Li7Mn4CoO12
4
true
-0.096911
0.104536
-0.279003
false
0.135921
-0.60835
['Co', 'Li', 'Mn', 'O']
mp-1175256
Li7Mn4CoO12
4
true
-0.074318
0.110495
-0.361948
false
0.121879
-0.604989
['Co', 'Li', 'Mn', 'O']
mp-1175285
Li7Mn4CoO12
4
true
-0.034911
0.120887
-0.868213
false
0.099196
-0.599482
['Co', 'Li', 'Mn', 'O']
mp-1175283
Li7Mn4CoO12
4
true
-0.048246
0.117371
-0.689256
false
0.080832
-0.594954
['Co', 'Li', 'Mn', 'O']
mp-1175286
Li7Mn4CoO12
4
true
-0.049025
0.117165
-0.852437
false
0.090079
-0.597242
['Co', 'Li', 'Mn', 'O']
mp-1175291
Li7Mn4CoO12
4
true
-0.047697
0.117515
-0.727106
false
0.088684
-0.596898
['Co', 'Li', 'Mn', 'O']
mp-1175301
Li7Mn4CoO12
4
true
-0.047613
0.117538
-0.753445
false
0.092691
-0.597885
['Co', 'Li', 'Mn', 'O']
mp-1175297
Li7Mn4CoO12
4
true
-0.038347
0.119981
-0.868213
false
0.088651
-0.59689
['Co', 'Li', 'Mn', 'O']
mp-1175287
Li7Mn4CoO12
4
true
-0.043822
0.118537
-0.707809
false
0.101675
-0.600089
['Co', 'Li', 'Mn', 'O']
mp-1175289
Li7Mn4CoO12
4
true
-0.036382
0.1205
-0.868213
false
0.085614
-0.596139
['Co', 'Li', 'Mn', 'O']
mp-1176845
Li7V3P8O29
4
false
-0.773431
-0.06922
-0.862458
false
-0.783931
2.158087
['Li', 'O', 'P', 'V']
mp-1176850
Li7V3P8O29
4
false
-0.781156
-0.071257
-0.460195
false
-0.77091
2.132645
['Li', 'O', 'P', 'V']
mp-1176866
Li7V3P8O29
4
false
-0.781747
-0.071413
-0.226461
false
-0.777945
2.146344
['Li', 'O', 'P', 'V']
mp-1176852
Li7V3P8O29
4
false
-0.785299
-0.07235
-0.788519
false
-0.790605
2.171277
['Li', 'O', 'P', 'V']
mp-1176861
Li7V3P8O29
4
false
-0.788029
-0.07307
-0.252935
false
-0.776951
2.1444
['Li', 'O', 'P', 'V']
mp-1176863
Li7V3P8O29
4
false
-0.781903
-0.071454
-0.188747
false
-0.766877
2.124843
['Li', 'O', 'P', 'V']
mp-1176878
Li7V3P8O29
4
false
-0.766456
-0.06738
-0.748231
false
-0.765622
2.122421
['Li', 'O', 'P', 'V']
mp-1176872
Li7V3P8O29
4
false
-0.779141
-0.070725
-0.838082
false
-0.781426
2.153162
['Li', 'O', 'P', 'V']
mp-1176870
Li7V3P8O29
4
false
-0.77979
-0.070897
-0.647683
false
-0.774761
2.140131
['Li', 'O', 'P', 'V']
mp-1176871
Li7V3P8O29
4
false
-0.778982
-0.070684
-0.808087
false
-0.77712
2.144731
['Li', 'O', 'P', 'V']
mp-1176864
Li7V3P8O29
4
false
-0.789107
-0.073354
-0.338317
false
-0.783823
2.157874
['Li', 'O', 'P', 'V']
mp-1176865
Li7V3P8O29
4
false
-0.774403
-0.069476
-0.865098
false
-0.761757
2.114988
['Li', 'O', 'P', 'V']
mp-1176869
Li7V3P8O29
4
false
-0.782036
-0.071489
-0.187054
false
-0.787403
2.164936
['Li', 'O', 'P', 'V']
mp-1176890
Li7Fe8(BO3)8
4
true
-0.379563
-0.125112
0.382926
true
-0.310702
0.171243
['B', 'Fe', 'Li', 'O']
mp-1176893
Li7V4(PO4)6
4
false
-0.755192
-0.082431
-0.840046
false
-0.617103
0.155933
['Li', 'O', 'P', 'V']
mp-1176885
Li7Fe6(SiO4)6
4
true
-0.593407
-0.071758
0.480766
true
-0.574338
0.314102
['Fe', 'Li', 'O', 'Si']
mp-1176910
Li7Mn4(P2O7)4
4
true
-0.724267
-0.083715
-0.721554
false
-0.538997
1.90171
['Li', 'Mn', 'O', 'P']
mp-1176881
Li7V3P8O29
4
false
-0.778469
-0.070548
-0.5969
false
-0.776707
2.143924
['Li', 'O', 'P', 'V']
mp-1176933
Li7Fe4(P2O7)4
4
true
-0.629162
-0.041546
0.23085
true
-0.498284
1.849714
['Fe', 'Li', 'O', 'P']
mp-1176941
Li7V3P8O29
4
false
-0.782778
-0.071685
-0.833478
false
-0.780775
2.151886
['Li', 'O', 'P', 'V']
mp-1245361
Li7IrN4
3
false
1.754852
0.658321
-0.659396
false
0.302692
1.471156
['Ir', 'Li', 'N']
mp-1245805
Li7MoN4
3
false
1.401394
0.516571
-0.852572
false
-0.620012
1.486497
['Li', 'Mo', 'N']
mp-14753
Li7TaN4
3
false
1.095195
-0.634163
1.453822
true
0.2297
1.437762
['Li', 'N', 'Ta']
mp-14827
Li7NbN4
3
false
1.164732
-0.038968
1.431478
true
-0.624691
1.451947
['Li', 'N', 'Nb']
mp-4604
Li7VN4
3
false
1.116602
0.205711
1.18691
true
-0.897953
1.239732
['Li', 'N', 'V']
mp-1029517
Li7BiN4
3
false
1.725329
-0.707603
-0.099505
false
0.172692
1.762913
['Bi', 'Li', 'N']
mp-1029522
Li7SbN4
3
false
1.594451
0.729887
0.651869
true
-0.459957
1.597063
['Li', 'N', 'Sb']
mp-1245358
Li7RuN4
3
false
1.664836
0.62404
-0.868213
false
-0.550148
1.456534
['Li', 'N', 'Ru']
mp-1245354
Li7CrN4
3
false
1.352428
0.532493
-0.868213
false
-0.950675
1.340926
['Cr', 'Li', 'N']
mp-14712
Li7PN4
3
false
1.185502
0.346893
1.587887
true
-1.00662
1.077868
['Li', 'N', 'P']
mp-1247494
Li7ReN4
3
false
1.536669
-0.610068
-0.868213
false
0.197939
1.519018
['Li', 'N', 'Re']
mp-5515
Li7MnN4
3
true
1.42439
0.563345
-0.353755
false
-0.835858
1.209076
['Li', 'Mn', 'N']
mp-4825
Li7VN4
3
false
1.120302
0.206687
1.095299
true
-0.903095
1.247665
['Li', 'N', 'V']
mp-568989
Li7NiN4
3
true
1.77735
0.430935
-0.868213
false
-0.881432
1.336811
['Li', 'N', 'Ni']
mp-504574
Li7IN2
3
false
2.304195
1.230643
-0.868213
false
-1.203004
-0.238449
['I', 'Li', 'N']
mp-1653728
Li7Co5O12
3
true
0.279898
0.30201
-0.588775
false
0.351766
-0.037744
['Co', 'Li', 'O']
mp-1200910
Li7H5N4
3
false
1.535123
0.788616
0.91228
true
-1.569642
0.259617
['H', 'Li', 'N']
mp-1211446
Li7PSe6
3
false
0.941189
-0.52547
-0.236076
false
-0.362234
2.069151
['Li', 'P', 'Se']
mp-1211324
Li7PS6
3
false
0.756118
0.834394
0.540283
true
-1.304044
1.657745
['Li', 'P', 'S']
mp-1176882
Li7Fe5O12
3
true
0.102617
0.174462
-0.868213
false
0.086337
-0.595651
['Fe', 'Li', 'O']
mp-1222532
Li7(SnO3)4
3
false
-0.15948
0.376772
-0.868213
false
0.663406
-0.514712
['Li', 'O', 'Sn']
mp-1648494
Li7Co5O12
3
true
0.25881
0.296449
-0.624661
false
0.414451
-0.063482
['Co', 'Li', 'O']
mp-1638688
Li7Co5O12
3
true
0.274
0.300455
-0.868213
false
0.409564
-0.649832
['Co', 'Li', 'O']
mp-675534
Li7Mn10O24
3
true
-0.013416
-0.048095
-0.868213
false
0.072381
-0.017857
['Li', 'Mn', 'O']
mp-690435
Li7Mn11O24
3
true
-0.057885
-0.085419
-0.306223
false
0.146677
0.014368
['Li', 'Mn', 'O']
mp-699179
Li7Mn17O32
3
true
-0.083649
-0.1799
-0.868213
false
0.22231
0.517167
['Li', 'Mn', 'O']
mp-755638
Li7Ni5O12
3
true
0.483536
0.437518
-0.505425
false
0.543866
-0.676972
['Li', 'Ni', 'O']
mp-756388
Li7Ni5O12
3
true
0.515585
0.44597
-0.868213
false
0.411541
-0.651547
['Li', 'Ni', 'O']
mp-756600
Li7Mn5O12
3
true
-0.191922
0.054954
-0.374745
false
0.135209
-0.613027
['Li', 'Mn', 'O']
mp-756862
Li7Fe5O12
3
true
0.085973
0.170073
-0.834493
false
0.301399
-0.644815
['Fe', 'Li', 'O']
mp-758820
Li7(NiO2)12
3
true
0.818789
0.395215
-0.868213
false
0.606939
-0.067682
['Li', 'Ni', 'O']
mp-770769
Li7Co5O12
3
true
0.342409
0.318496
-0.868213
false
0.473828
-0.662507
['Co', 'Li', 'O']
mp-776654
Li7V5O12
3
false
-0.536975
-0.031324
-0.085151
false
0.010434
-0.607513
['Li', 'O', 'V']
mp-1223302
Li7Ta24O64
3
false
-1.374881
-0.70167
-0.868213
false
2.551968
2.194451
['Li', 'O', 'Ta']
mp-38468
Li7Ti12O24
3
false
-1.294683
-0.333451
-0.868213
false
0.148911
-0.02279
['Li', 'O', 'Ti']
mp-675734
Li7B18O
3
false
1.717892
0.445777
-0.868213
false
-1.304543
-0.547876
['B', 'Li', 'O']
mp-766543
Li7Ti11O24
3
false
-1.345075
-0.328643
-0.868213
false
-0.085032
0.031154
['Li', 'O', 'Ti']
mp-937591
Li7MnAs4
3
true
1.61861
0.969335
-0.868213
false
-0.436191
0.009879
['As', 'Li', 'Mn']
mp-1201607
Li7CuSi2
3
false
1.929839
1.226233
-0.868213
false
-1.254338
0.483058
['Cu', 'Li', 'Si']
mp-768156
Li7(SbS)2
3
false
1.087655
1.037001
-0.868213
false
-0.675859
1.255416
['Li', 'S', 'Sb']
mp-1176851
Li7NbS6
3
false
0.673641
0.71553
0.737928
true
-1.147566
0.335242
['Li', 'Nb', 'S']
mp-768982
Li7NbS6
3
false
0.658642
0.711574
0.60393
true
-1.130826
0.316132
['Li', 'Nb', 'S']
mp-675941
Li7IN2
3
false
1.444445
1.003902
0.425041
true
-0.862078
-0.445381
['I', 'Li', 'N']
mp-766834
Li7Ti16O32
3
false
-1.39014
-0.40007
-0.868213
false
-0.00347
0.460144
['Li', 'O', 'Ti']
mp-771242
Li7W5O16
3
false
-0.224225
-0.1506
-0.132344
false
1.976711
-0.362955
['Li', 'O', 'W']
mp-675473
Li7MnAs4
3
true
1.571163
0.956822
-0.868213
false
-0.436178
0.009871
['As', 'Li', 'Mn']
mp-771074
Li7CrO6
3
false
-0.109345
0.417651
-0.277514
false
-1.015408
-0.39375
['Cr', 'Li', 'O']
mp-1174708
Li7Mn2(CoO4)3
4
true
0.116178
0.209783
-0.454236
false
0.20766
-0.615545
['Co', 'Li', 'Mn', 'O']
mp-1174700
Li7Mn2(CoO4)3
4
true
0.102724
0.206235
-0.257675
false
0.222747
-0.618984
['Co', 'Li', 'Mn', 'O']
mp-1174919
Li7Mn2(CoO4)3
4
true
0.083282
0.201108
-0.048655
false
0.234773
-0.621697
['Co', 'Li', 'Mn', 'O']
mp-1174885
Li7Mn4CoO12
4
true
-0.090237
0.106296
-0.330124
false
0.133196
-0.6077
['Co', 'Li', 'Mn', 'O']
mp-1174928
Li7Mn2(CoO4)3
4
true
0.096387
0.204564
-0.388219
false
0.224391
-0.619356
['Co', 'Li', 'Mn', 'O']
mp-1174932
Li7Mn2(CoO4)3
4
true
0.086132
0.201859
-0.316718
false
0.536921
-0.682846
['Co', 'Li', 'Mn', 'O']
mp-1174925
Li7Mn2(CoO4)3
4
true
0.083802
0.201245
-0.21908
false
0.236304
-0.622041
['Co', 'Li', 'Mn', 'O']
mp-1174921
Li7Mn2(CoO4)3
4
true
0.081975
0.200763
-0.127943
false
0.23728
-0.62226
['Co', 'Li', 'Mn', 'O']
mp-1174922
Li7Mn2(CoO4)3
4
true
0.099978
0.205511
-0.227206
false
0.232733
-0.621239
['Co', 'Li', 'Mn', 'O']
mp-1174930
Li7Mn2(CoO4)3
4
true
0.09872
0.205179
-0.827655
false
0.227441
-0.620046
['Co', 'Li', 'Mn', 'O']
mp-1174933
Li7Mn2(CoO4)3
4
true
0.094845
0.204157
-0.076281
false
0.235634
-0.621891
['Co', 'Li', 'Mn', 'O']
mp-1174781
Li7Mn2(CoO4)3
4
true
0.162767
0.22207
-0.868213
false
0.160576
-0.604564
['Co', 'Li', 'Mn', 'O']