material_id
stringlengths
6
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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-1646634
Li7Mn5O12
3
true
-0.180938
0.057851
-0.350505
false
0.071088
0.043165
['Li', 'Mn', 'O']
mp-1650669
Li7Mn5O12
3
true
-0.177035
0.05888
-0.511451
false
0.065955
0.045719
['Li', 'Mn', 'O']
mp-1642906
Li7Mn5O12
3
true
-0.183272
0.057236
-0.31252
false
0.07208
0.042673
['Li', 'Mn', 'O']
mp-1643099
Li7Mn5O12
3
true
-0.185708
0.056593
-0.050348
false
0.087336
0.035147
['Li', 'Mn', 'O']
mp-1646892
Li7Mn5O12
3
true
-0.182547
0.057427
-0.158277
false
0.079278
0.03911
['Li', 'Mn', 'O']
mp-1641274
Li7Mn5O12
3
true
-0.177723
0.058699
-0.504409
false
0.069302
0.044052
['Li', 'Mn', 'O']
mp-1640196
Li7Mn5O12
3
true
-0.179172
0.058317
-0.551941
false
0.087502
0.035065
['Li', 'Mn', 'O']
mp-1643948
Li7Mn5O12
3
true
-0.183606
0.057148
-0.12835
false
0.070521
0.043446
['Li', 'Mn', 'O']
mp-1644153
Li7Mn5O12
3
true
-0.184881
0.056811
-0.221383
false
0.07879
0.039352
['Li', 'Mn', 'O']
mp-1648875
Li7Mn5O12
3
true
-0.183939
0.05706
-0.34827
false
0.086582
0.035516
['Li', 'Mn', 'O']
mp-1642624
Li7Mn5O12
3
true
-0.180341
0.058009
-0.313129
false
0.066241
0.045576
['Li', 'Mn', 'O']
mp-1646544
Li7Mn5O12
3
true
-0.184205
0.05699
-0.226664
false
0.074466
0.04149
['Li', 'Mn', 'O']
mp-1648171
Li7Mn5O12
3
true
-0.183311
0.057225
-0.323421
false
0.06715
0.045123
['Li', 'Mn', 'O']
mp-1666672
Li7Mn5O12
3
true
-0.179784
0.058156
-0.470486
false
0.069957
0.043727
['Li', 'Mn', 'O']
mp-1666665
Li7Mn5O12
3
true
-0.182397
0.057467
-0.259842
false
0.089399
0.034136
['Li', 'Mn', 'O']
mp-1666768
Li7Mn5O12
3
true
-0.181987
0.057575
-0.391131
false
0.054702
0.051354
['Li', 'Mn', 'O']
mp-1650854
Li7Mn5O12
3
true
-0.181665
0.05766
-0.31015
false
0.074426
0.041509
['Li', 'Mn', 'O']
mp-1651001
Li7Mn5O12
3
true
-0.182707
0.057385
-0.378943
false
0.075325
0.041064
['Li', 'Mn', 'O']
mp-1651541
Li7Mn5O12
3
true
-0.179015
0.058358
-0.337234
false
0.075625
0.040916
['Li', 'Mn', 'O']
mp-1652638
Li7Mn5O12
3
true
-0.181529
0.057695
-0.352401
false
0.067187
0.045105
['Li', 'Mn', 'O']
mp-1651187
Li7Mn5O12
3
true
-0.18278
0.057365
-0.196601
false
0.076581
0.040443
['Li', 'Mn', 'O']
mp-1666644
Li7Mn5O12
3
true
-0.18402
0.057038
-0.458569
false
0.077053
0.04021
['Li', 'Mn', 'O']
mp-1667148
Li7Mn5O12
3
true
-0.178526
0.058487
-0.351656
false
0.086361
0.035625
['Li', 'Mn', 'O']
mp-1978357
Li7Mn5O12
3
true
-0.177868
0.058661
-0.415438
false
0.083201
0.037178
['Li', 'Mn', 'O']
mp-1979024
Li7Co5O12
3
true
0.31864
0.312228
-0.763263
false
0.362845
-0.042374
['Co', 'Li', 'O']
mp-34461
Li7Mn11O24
3
true
-0.057772
-0.085389
-0.25219
false
0.135286
0.019763
['Li', 'Mn', 'O']
mp-641703
Li7P3S11
3
false
0.975119
0.757872
0.816606
true
-1.257918
1.296236
['Li', 'P', 'S']
mp-686097
Li7Nb8O24
3
false
-0.929023
-0.290342
-0.868213
false
0.417906
1.339305
['Li', 'Nb', 'O']
mp-690528
Li7(NiO2)8
3
true
0.613349
0.401672
-0.868213
false
0.740358
-0.473887
['Li', 'Ni', 'O']
mp-756913
Li7Ni5O12
3
true
0.499772
0.4418
-0.868213
false
0.441337
-0.657471
['Li', 'Ni', 'O']
mp-757736
Li7(NiO2)9
3
true
0.667929
0.396894
-0.627708
false
0.718844
-0.37866
['Li', 'Ni', 'O']
mp-758382
Li7(CuO2)6
3
false
0.541879
0.552023
-0.868213
false
0.038126
-0.454964
['Cu', 'Li', 'O']
mp-766084
Li7Nb12O24
3
false
-0.816858
-0.386043
-0.868213
false
1.012079
0.171694
['Li', 'Nb', 'O']
mp-766239
Li7V5O12
3
false
-0.551928
-0.035268
-0.346781
false
-0.039628
-0.594728
['Li', 'O', 'V']
mp-767321
Li7(SbS)2
3
false
1.07164
1.032777
-0.625203
false
-0.73013
0.046669
['Li', 'S', 'Sb']
mp-768059
Li7Ni9O16
3
true
0.58462
0.382275
-0.868213
false
0.862958
-0.445835
['Li', 'Ni', 'O']
mp-768163
Li7(SbS)2
3
false
1.059472
1.029568
-0.277514
false
-0.626926
-0.023781
['Li', 'S', 'Sb']
mp-768079
Li7(NiO2)11
3
true
0.780922
0.396977
-0.868213
false
0.590695
-0.155408
['Li', 'Ni', 'O']
mp-771124
Li7Fe3O8
3
true
0.069636
0.294072
0.39078
true
-0.580573
-0.09329
['Fe', 'Li', 'O']
mp-806082
Li7Fe3O8
3
true
2.594003
0.959819
-0.868213
false
-0.580573
-0.09329
['Fe', 'Li', 'O']
mp-1245516
Li7OsN4
3
false
1.682902
0.581583
-0.842348
false
0.289082
1.46611
['Li', 'N', 'Os']
mp-1175029
Li7Mn2(CoO4)3
4
true
0.130045
0.21344
-0.868213
false
0.196777
-0.613041
['Co', 'Li', 'Mn', 'O']
mp-1175033
Li7Mn2(CoO4)3
4
true
0.129017
0.213169
-0.868213
false
0.202869
-0.614445
['Co', 'Li', 'Mn', 'O']
mp-1175056
Li7Mn2(CoO4)3
4
true
0.126885
0.212607
-0.754799
false
0.205342
-0.615013
['Co', 'Li', 'Mn', 'O']
mp-1175048
Li7Mn2(CoO4)3
4
true
0.129919
0.213407
-0.785743
false
0.178656
-0.608826
['Co', 'Li', 'Mn', 'O']
mp-1175064
Li7Mn2(CoO4)3
4
true
0.128066
0.212919
-0.653641
false
0.187098
-0.610797
['Co', 'Li', 'Mn', 'O']
mp-1175067
Li7Mn2(CoO4)3
4
true
0.16488
0.222627
-0.868213
false
0.182614
-0.609752
['Co', 'Li', 'Mn', 'O']
mp-1175082
Li7Mn2(CoO4)3
4
true
0.17203
0.224513
-0.868213
false
0.208753
-0.615795
['Co', 'Li', 'Mn', 'O']
mp-1175061
Li7Mn2(CoO4)3
4
true
0.144804
0.217333
-0.80592
false
0.184169
-0.610115
['Co', 'Li', 'Mn', 'O']
mp-1175068
Li7Mn2(CoO4)3
4
true
0.149457
0.21856
-0.868213
false
0.183869
-0.610045
['Co', 'Li', 'Mn', 'O']
mp-1175094
Li7Mn2(CoO4)3
4
true
0.163429
0.222245
-0.868213
false
0.164191
-0.605421
['Co', 'Li', 'Mn', 'O']
mp-1175052
Li7Mn2(CoO4)3
4
true
0.157995
0.220812
-0.868213
false
0.145577
-0.600985
['Co', 'Li', 'Mn', 'O']
mp-1175054
Li7Mn2(CoO4)3
4
true
0.137914
0.215516
-0.868213
false
0.204183
-0.614747
['Co', 'Li', 'Mn', 'O']
mp-1175065
Li7Mn2(CoO4)3
4
true
0.170073
0.223997
-0.709705
false
0.166176
-0.605891
['Co', 'Li', 'Mn', 'O']
mp-1175080
Li7Mn2(CoO4)3
4
true
0.126423
0.212485
-0.699616
false
0.193407
-0.612261
['Co', 'Li', 'Mn', 'O']
mp-1175083
Li7Mn2(CoO4)3
4
true
0.150677
0.218882
-0.837947
false
0.184841
-0.610271
['Co', 'Li', 'Mn', 'O']
mp-1175086
Li7Mn2(CoO4)3
4
true
0.139265
0.215872
-0.868213
false
0.18912
-0.611267
['Co', 'Li', 'Mn', 'O']
mp-1175058
Li7Mn2(CoO4)3
4
true
0.130846
0.213652
-0.761028
false
0.204182
-0.614747
['Co', 'Li', 'Mn', 'O']
mp-1175059
Li7Mn2(CoO4)3
4
true
0.134341
0.214573
-0.868213
false
0.201391
-0.614105
['Co', 'Li', 'Mn', 'O']
mp-1175063
Li7Mn2(CoO4)3
4
true
0.10475
0.206769
-0.106953
false
0.203546
-0.614601
['Co', 'Li', 'Mn', 'O']
mp-1175075
Li7Mn2(CoO4)3
4
true
0.158662
0.220988
-0.868213
false
0.191171
-0.611743
['Co', 'Li', 'Mn', 'O']
mp-1175187
Li7Mn4CoO12
4
true
-0.115497
0.099635
-0.335202
false
0.182869
-0.619333
['Co', 'Li', 'Mn', 'O']
mp-1175057
Li7Mn2(CoO4)3
4
true
0.344189
0.269916
-0.868213
false
0.169634
-0.606707
['Co', 'Li', 'Mn', 'O']
mp-1175066
Li7Mn2(CoO4)3
4
true
0.16112
0.221636
-0.868213
false
0.166444
-0.605954
['Co', 'Li', 'Mn', 'O']
mp-1175079
Li7Mn2(CoO4)3
4
true
0.147995
0.218174
-0.868213
false
0.201368
-0.6141
['Co', 'Li', 'Mn', 'O']
mp-1175088
Li7Mn2(CoO4)3
4
true
0.118326
0.21035
-0.868213
false
0.182537
-0.609734
['Co', 'Li', 'Mn', 'O']
mp-1175186
Li7Mn4CoO12
4
true
-0.094512
0.105169
-0.368177
false
0.142964
-0.610022
['Co', 'Li', 'Mn', 'O']
mp-1175060
Li7Mn2(CoO4)3
4
true
0.117015
0.210004
-0.868213
false
0.239331
-0.622719
['Co', 'Li', 'Mn', 'O']
mp-1175076
Li7Mn2(CoO4)3
4
true
0.157231
0.22061
-0.868213
false
0.206579
-0.615297
['Co', 'Li', 'Mn', 'O']
mp-1175078
Li7Mn2(CoO4)3
4
true
0.114269
0.20928
-0.497435
false
0.241708
-0.623251
['Co', 'Li', 'Mn', 'O']
mp-1175184
Li7Mn4CoO12
4
true
-0.09727
0.104442
-0.429251
false
0.126851
-0.606183
['Co', 'Li', 'Mn', 'O']
mp-1175049
Li7Mn2(CoO4)3
4
true
0.129709
0.213352
-0.778836
false
0.204697
-0.614865
['Co', 'Li', 'Mn', 'O']
mp-1175050
Li7Mn2(CoO4)3
4
true
0.142057
0.216608
-0.868213
false
0.212604
-0.616676
['Co', 'Li', 'Mn', 'O']
mp-1175069
Li7Mn2(CoO4)3
4
true
0.130316
0.213512
-0.862458
false
0.21292
-0.616748
['Co', 'Li', 'Mn', 'O']
mp-1175085
Li7Mn2(CoO4)3
4
true
0.130229
0.213489
-0.623375
false
0.183676
-0.61
['Co', 'Li', 'Mn', 'O']
mp-1175053
Li7Mn2(CoO4)3
4
true
0.136631
0.215177
-0.868213
false
0.212604
-0.616676
['Co', 'Li', 'Mn', 'O']
mp-1175062
Li7Mn2(CoO4)3
4
true
0.156948
0.220536
-0.868213
false
0.173604
-0.607641
['Co', 'Li', 'Mn', 'O']
mp-1175095
Li7Mn2(CoO4)3
4
true
0.123064
0.211599
-0.868213
false
0.196712
-0.613026
['Co', 'Li', 'Mn', 'O']
mp-1175195
Li7Mn4CoO12
4
true
-0.106886
0.101905
-0.301077
false
0.151513
-0.612041
['Co', 'Li', 'Mn', 'O']
mp-1175194
Li7Mn4CoO12
4
true
-0.089637
0.106454
-0.302566
false
0.137673
-0.608767
['Co', 'Li', 'Mn', 'O']
mp-1175199
Li7Mn4CoO12
4
true
-0.098279
0.104175
-0.256524
false
0.144662
-0.610424
['Co', 'Li', 'Mn', 'O']
mp-1175250
Li7Mn4CoO12
4
true
0.208202
0.185003
-0.560473
false
0.14042
-0.609419
['Co', 'Li', 'Mn', 'O']
mp-1175263
Li7Mn4CoO12
4
true
-0.071183
0.111321
-0.427152
false
0.126544
-0.606109
['Co', 'Li', 'Mn', 'O']
mp-1175198
Li7Mn4CoO12
4
true
-0.104799
0.102456
-0.424173
false
0.150831
-0.61188
['Co', 'Li', 'Mn', 'O']
mp-1175206
Li7Mn4CoO12
4
true
-0.099079
0.103965
-0.310353
false
0.139722
-0.609254
['Co', 'Li', 'Mn', 'O']
mp-1175217
Li7Mn4CoO12
4
true
-0.098277
0.104176
-0.29654
false
0.154737
-0.612798
['Co', 'Li', 'Mn', 'O']
mp-1175244
Li7Mn4CoO12
4
true
-0.076666
0.109875
-0.573811
false
0.138277
-0.60891
['Co', 'Li', 'Mn', 'O']
mp-1175201
Li7Mn4CoO12
4
true
-0.078032
0.109515
-0.556884
false
0.141983
-0.60979
['Co', 'Li', 'Mn', 'O']
mp-1175216
Li7Mn4CoO12
4
true
-0.079553
0.109114
-0.542936
false
0.153512
-0.612511
['Co', 'Li', 'Mn', 'O']
mp-1175252
Li7Mn4CoO12
4
true
-0.073864
0.110614
-0.485112
false
0.134629
-0.608042
['Co', 'Li', 'Mn', 'O']
mp-1175253
Li7Mn4CoO12
4
true
-0.072956
0.110854
-0.439882
false
0.147694
-0.611141
['Co', 'Li', 'Mn', 'O']
mp-1175262
Li7Mn4CoO12
4
true
-0.041683
0.119101
-0.868213
false
0.091274
-0.597537
['Co', 'Li', 'Mn', 'O']
mp-1175273
Li7Mn4CoO12
4
true
-0.037695
0.120153
-0.868213
false
0.091089
-0.597491
['Co', 'Li', 'Mn', 'O']
mp-1175226
Li7Mn4CoO12
4
true
-0.099453
0.103866
-0.517612
false
0.155707
-0.613026
['Co', 'Li', 'Mn', 'O']
mp-1175276
Li7Mn4CoO12
4
true
-0.038082
0.120051
-0.868213
false
0.10478
-0.600847
['Co', 'Li', 'Mn', 'O']
mp-1175219
Li7Mn4CoO12
4
true
-0.101262
0.103389
-0.399865
false
0.168067
-0.615912
['Co', 'Li', 'Mn', 'O']
mp-1175221
Li7Mn4CoO12
4
true
-0.081927
0.108488
-0.566905
false
0.167031
-0.615671
['Co', 'Li', 'Mn', 'O']
mp-1175230
Li7Mn4CoO12
4
true
-0.09776
0.104312
-0.57178
false
0.144297
-0.610338
['Co', 'Li', 'Mn', 'O']
mp-1175245
Li7Mn4CoO12
4
true
-0.092278
0.105758
-0.529665
false
0.140929
-0.60954
['Co', 'Li', 'Mn', 'O']
mp-1175251
Li7Mn4CoO12
4
true
-0.041452
0.119162
-0.868213
false
0.105404
-0.600999
['Co', 'Li', 'Mn', 'O']