material_id
stringlengths
6
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3
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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-1176312
Li9Mn2Co5O16
4
true
0.310293
0.257449
-0.868213
false
0.305997
-0.414223
['Co', 'Li', 'Mn', 'O']
mp-1175474
Li9Mn2Co5O16
4
true
0.129439
0.209752
0.070175
true
0.317112
-0.417464
['Co', 'Li', 'Mn', 'O']
mp-1176275
Li9Mn2Co5O16
4
true
0.137595
0.211904
-0.235331
false
0.305482
-0.414073
['Co', 'Li', 'Mn', 'O']
mp-1176316
Li9Mn2Co5O16
4
true
0.172634
0.221144
-0.868213
false
0.276264
-0.405428
['Co', 'Li', 'Mn', 'O']
mp-1176291
Li9Mn2Co5O16
4
true
0.174923
0.221748
-0.490596
false
0.287753
-0.408849
['Co', 'Li', 'Mn', 'O']
mp-1176296
Li9Mn2Co5O16
4
true
0.151847
0.215662
-0.005321
false
0.277714
-0.405862
['Co', 'Li', 'Mn', 'O']
mp-1176310
Li9Mn2Co5O16
4
true
0.162104
0.218367
-0.246706
false
0.315549
-0.41701
['Co', 'Li', 'Mn', 'O']
mp-1176277
Li9Mn2Co5O16
4
true
0.143491
0.213458
0.158062
true
0.282979
-0.407431
['Co', 'Li', 'Mn', 'O']
mp-1176304
Li9Mn2Co5O16
4
true
0.167457
0.219779
-0.760893
false
0.274898
-0.40502
['Co', 'Li', 'Mn', 'O']
mp-1176314
Li9Mn2Co5O16
4
true
0.147872
0.214614
0.069092
true
0.288921
-0.409195
['Co', 'Li', 'Mn', 'O']
mp-1176318
Li9Mn2Co5O16
4
true
0.207812
0.230422
-0.868213
false
0.324011
-0.419462
['Co', 'Li', 'Mn', 'O']
mp-1176322
Li9Mn2Co5O16
4
true
0.18289
0.223849
-0.477393
false
0.255467
-0.399164
['Co', 'Li', 'Mn', 'O']
mp-1176321
Li9Mn2Co5O16
4
true
0.199766
0.2283
-0.868213
false
0.282834
-0.407388
['Co', 'Li', 'Mn', 'O']
mp-1176324
Li9Mn2Co5O16
4
true
0.214942
0.232302
-0.868213
false
0.284582
-0.407908
['Co', 'Li', 'Mn', 'O']
mp-1176323
Li9Mn2Co5O16
4
true
0.19607
0.227325
-0.620937
false
0.290529
-0.409671
['Co', 'Li', 'Mn', 'O']
mp-759088
Li9Ti7Cr6O30
4
false
-0.790495
-0.225392
-0.868213
false
0.017898
0.271932
['Cr', 'Li', 'O', 'Ti']
mp-767497
Li9Ti7Nb5O30
4
false
-1.156601
-0.310281
-0.868213
false
0.150942
0.380389
['Li', 'Nb', 'O', 'Ti']
mp-767490
Li9Ti12NbO30
4
false
-1.327956
-0.320603
-0.868213
false
-0.022635
0.322694
['Li', 'Nb', 'O', 'Ti']
mp-769514
Li9Mn12Cu3O32
4
true
0.095723
0.02126
-0.868213
false
0.265211
0.408883
['Cu', 'Li', 'Mn', 'O']
mp-1223032
Li9Nd2(PS4)5
4
false
0.792771
0.647195
0.940921
true
-0.901429
3.339931
['Li', 'Nd', 'P', 'S']
mp-26035
Li9Mn3P8O29
4
true
-0.722142
-0.022382
0.113509
true
-0.718211
2.126144
['Li', 'Mn', 'O', 'P']
mp-584450
Li9Co3P8O29
4
true
-0.547062
0.059828
0.157114
true
-0.667517
2.075292
['Co', 'Li', 'O', 'P']
mp-1176793
Li9Mn12Ni3O32
4
true
0.013705
-0.026499
-0.868213
false
0.236747
0.408948
['Li', 'Mn', 'Ni', 'O']
mp-777686
Li9Mn3(WO4)7
4
true
-0.274091
-0.224512
-0.868213
false
0.925391
0.594636
['Li', 'Mn', 'O', 'W']
mp-778229
Li9Cr3(WO4)7
4
false
-0.261371
-0.230252
-0.868213
false
1.02116
0.536896
['Cr', 'Li', 'O', 'W']
mp-772992
Li9Fe3(WO4)7
4
true
-0.195663
-0.191013
-0.868213
false
0.981318
0.56777
['Fe', 'Li', 'O', 'W']
mp-777624
Li9V3(WO4)7
4
false
-0.298359
-0.229466
0.181761
true
0.951992
0.569437
['Li', 'O', 'V', 'W']
mp-26975
Li9Cr3P8O29
4
false
-0.800514
-0.051773
1.219546
true
-0.714305
2.087272
['Cr', 'Li', 'O', 'P']
mp-27013
Li9V3P8O29
4
false
-0.831344
-0.049794
0.540554
true
-0.747577
2.138559
['Li', 'O', 'P', 'V']
mp-554093
Li9Fe3P8O29
4
true
-0.68598
-0.000552
0.856961
true
-0.706033
2.113105
['Fe', 'Li', 'O', 'P']
mp-560209
Li9Al3P8O29
4
false
-0.985434
0.004399
2.760144
true
-0.791575
1.956542
['Al', 'Li', 'O', 'P']
mp-583985
Li9Co3P8O29
4
true
-0.561832
0.055933
-0.050077
false
-0.60247
1.962251
['Co', 'Li', 'O', 'P']
mp-560058
Li9Ga3P8O29
4
false
-0.77011
0.073932
-0.868213
false
-0.592505
2.053972
['Ga', 'Li', 'O', 'P']
mp-779010
Li9Sn3P8O29
4
false
-0.623755
0.095094
-0.868213
false
-0.507708
2.385621
['Li', 'O', 'P', 'Sn']
mp-776590
Li9P8W3O29
4
false
-0.671415
-0.076438
1.619778
true
-0.115106
2.315007
['Li', 'O', 'P', 'W']
mp-778150
Li9Nb3P8O29
4
false
-0.746847
-0.045583
-0.773284
false
-0.607222
2.31408
['Li', 'Nb', 'O', 'P']
mp-776589
Li9Sb3P8O29
4
false
-0.623829
0.092953
1.723239
true
-0.525899
2.448462
['Li', 'O', 'P', 'Sb']
mp-776035
Li9Cu3P8O29
4
false
-0.481115
0.13112
-0.494049
false
-0.64007
2.074139
['Cu', 'Li', 'O', 'P']
mp-585305
Li9Bi3P8O29
4
false
-0.654361
0.089146
1.963676
true
-0.131667
2.543302
['Bi', 'Li', 'O', 'P']
mp-1175386
Li9Mn2Co5O16
4
true
0.172899
0.221214
-0.868213
false
0.276751
-0.405574
['Co', 'Li', 'Mn', 'O']
mp-1175397
Li9Mn2Co5O16
4
true
0.220278
0.233709
0.120754
true
0.363062
-0.430593
['Co', 'Li', 'Mn', 'O']
mp-1175406
Li9Mn2Co5O16
4
true
0.158362
0.21738
-0.115011
false
0.311796
-0.415917
['Co', 'Li', 'Mn', 'O']
mp-1175421
Li9Mn2Co5O16
4
true
0.153351
0.216059
-0.395396
false
0.332852
-0.422009
['Co', 'Li', 'Mn', 'O']
mp-1175411
Li9Mn2Co5O16
4
true
0.174308
0.221586
-0.868213
false
0.312068
-0.415996
['Co', 'Li', 'Mn', 'O']
mp-1175403
Li9Mn2Co5O16
4
true
0.155327
0.21658
-0.437512
false
0.340126
-0.424093
['Co', 'Li', 'Mn', 'O']
mp-1175425
Li9Mn2Co5O16
4
true
0.157178
0.217068
-0.3199
false
0.291431
-0.409938
['Co', 'Li', 'Mn', 'O']
mp-1175407
Li9Mn2Co5O16
4
true
0.157071
0.21704
-0.448684
false
0.332369
-0.421871
['Co', 'Li', 'Mn', 'O']
mp-1175408
Li9Mn2Co5O16
4
true
0.14951
0.215046
-0.49256
false
0.306181
-0.414277
['Co', 'Li', 'Mn', 'O']
mp-1175387
Li9Mn2Co5O16
4
true
0.15034
0.215265
0.174854
true
0.306571
-0.414391
['Co', 'Li', 'Mn', 'O']
mp-1175388
Li9Mn2Co5O16
4
true
0.207097
0.230233
0.173026
true
0.348004
-0.426337
['Co', 'Li', 'Mn', 'O']
mp-1175417
Li9Mn2Co5O16
4
true
0.156929
0.217002
-0.040666
false
0.269067
-0.403271
['Co', 'Li', 'Mn', 'O']
mp-1175422
Li9Mn2Co5O16
4
true
0.16405
0.21888
-0.527904
false
0.279859
-0.406502
['Co', 'Li', 'Mn', 'O']
mp-1175424
Li9Mn2Co5O16
4
true
0.151864
0.215667
-0.509419
false
0.331938
-0.421747
['Co', 'Li', 'Mn', 'O']
mp-1175391
Li9Mn2Co5O16
4
true
0.153306
0.216047
-0.30365
false
0.341405
-0.424458
['Co', 'Li', 'Mn', 'O']
mp-1175393
Li9Mn2Co5O16
4
true
0.139972
0.212531
-0.023332
false
0.28318
-0.407491
['Co', 'Li', 'Mn', 'O']
mp-1175404
Li9Mn2Co5O16
4
true
0.301787
0.255206
0.23173
true
0.284955
-0.408019
['Co', 'Li', 'Mn', 'O']
mp-1175533
Li9Mn2Co5O16
4
true
0.159047
0.217561
-0.454778
false
0.289735
-0.409436
['Co', 'Li', 'Mn', 'O']
mp-1175453
Li9Mn2Co5O16
4
true
0.137546
0.211891
-0.302092
false
0.318858
-0.417971
['Co', 'Li', 'Mn', 'O']
mp-1175441
Li9Mn2Co5O16
4
true
0.138118
0.212041
-0.509419
false
0.35544
-0.428445
['Co', 'Li', 'Mn', 'O']
mp-1175535
Li9Mn2Co5O16
4
true
0.202995
0.229151
-0.868213
false
0.330486
-0.421329
['Co', 'Li', 'Mn', 'O']
mp-1175544
Li9Mn2Co5O16
4
true
0.163945
0.218853
-0.167689
false
0.302819
-0.413292
['Co', 'Li', 'Mn', 'O']
mp-1175454
Li9Mn2Co5O16
4
true
0.158727
0.217477
-0.531967
false
0.316006
-0.417143
['Co', 'Li', 'Mn', 'O']
mp-1175531
Li9Mn2Co5O16
4
true
0.184747
0.224339
-0.530409
false
0.339263
-0.423846
['Co', 'Li', 'Mn', 'O']
mp-1175537
Li9Mn2Co5O16
4
true
0.220341
0.233726
-0.868213
false
0.268889
-0.403218
['Co', 'Li', 'Mn', 'O']
mp-1175561
Li9Mn2Co5O16
4
true
0.164199
0.21892
-0.745455
false
0.304934
-0.413912
['Co', 'Li', 'Mn', 'O']
mp-1175470
Li9Mn2Co5O16
4
true
0.15944
0.217665
-0.611119
false
0.329122
-0.420937
['Co', 'Li', 'Mn', 'O']
mp-1175481
Li9Mn2Co5O16
4
true
0.161501
0.218208
-0.064432
false
0.290065
-0.409534
['Co', 'Li', 'Mn', 'O']
mp-1175534
Li9Mn2Co5O16
4
true
0.187523
0.225071
-0.868213
false
0.347025
-0.426059
['Co', 'Li', 'Mn', 'O']
mp-1175432
Li9Mn2Co5O16
4
true
0.14009
0.212562
-0.47008
false
0.352753
-0.427684
['Co', 'Li', 'Mn', 'O']
mp-1175438
Li9Mn2Co5O16
4
true
0.138481
0.212137
-0.368042
false
0.353589
-0.427921
['Co', 'Li', 'Mn', 'O']
mp-1175484
Li9Mn2Co5O16
4
true
0.152196
0.215754
-0.292207
false
0.304924
-0.413909
['Co', 'Li', 'Mn', 'O']
mp-1175489
Li9Mn2Co5O16
4
true
0.158571
0.217435
-0.205403
false
0.303426
-0.41347
['Co', 'Li', 'Mn', 'O']
mp-1175494
Li9Mn2Co5O16
4
true
0.142273
0.213137
-0.015071
false
0.305203
-0.413991
['Co', 'Li', 'Mn', 'O']
mp-1175526
Li9Mn2Co5O16
4
true
0.15591
0.216734
-0.088265
false
0.276419
-0.405475
['Co', 'Li', 'Mn', 'O']
mp-1175554
Li9Mn2Co5O16
4
true
0.169903
0.220424
-0.868213
false
0.298608
-0.412055
['Co', 'Li', 'Mn', 'O']
mp-1175426
Li9Mn2Co5O16
4
true
0.221893
0.234135
0.138562
true
0.35135
-0.427287
['Co', 'Li', 'Mn', 'O']
mp-1175550
Li9Mn2Co5O16
4
true
0.180183
0.223135
-0.868213
false
0.300981
-0.412753
['Co', 'Li', 'Mn', 'O']
mp-1175431
Li9Mn2Co5O16
4
true
0.13937
0.212372
-0.270134
false
0.353914
-0.428013
['Co', 'Li', 'Mn', 'O']
mp-1175461
Li9Mn2Co5O16
4
true
0.149893
0.215147
-0.469403
false
0.292855
-0.410359
['Co', 'Li', 'Mn', 'O']
mp-1175530
Li9Mn2Co5O16
4
true
0.160403
0.217919
-0.479289
false
0.332677
-0.421959
['Co', 'Li', 'Mn', 'O']
mp-1175553
Li9Mn2Co5O16
4
true
0.163342
0.218694
-0.629739
false
0.301389
-0.412873
['Co', 'Li', 'Mn', 'O']
mp-1175501
Li9Mn2Co5O16
4
true
0.205649
0.229851
-0.862999
false
0.232476
-0.392128
['Co', 'Li', 'Mn', 'O']
mp-1175510
Li9Mn2Co5O16
4
true
0.157467
0.217144
-0.868213
false
0.283136
-0.407478
['Co', 'Li', 'Mn', 'O']
mp-1175518
Li9Mn2Co5O16
4
true
0.151466
0.215562
-0.4346
false
0.339597
-0.423941
['Co', 'Li', 'Mn', 'O']
mp-1175532
Li9Mn2Co5O16
4
true
0.162561
0.218488
-0.57828
false
0.271017
-0.403857
['Co', 'Li', 'Mn', 'O']
mp-1175595
Li9Mn2Co5O16
4
true
0.1722
0.22103
-0.534675
false
0.303296
-0.413432
['Co', 'Li', 'Mn', 'O']
mp-1175607
Li9Mn2Co5O16
4
true
0.16315
0.218643
-0.754867
false
0.291309
-0.409902
['Co', 'Li', 'Mn', 'O']
mp-1175640
Li9Mn2Co5O16
4
true
0.169052
0.2202
-0.868213
false
0.315997
-0.41714
['Co', 'Li', 'Mn', 'O']
mp-1175563
Li9Mn2Co5O16
4
true
0.169979
0.220444
-0.868213
false
0.307137
-0.414557
['Co', 'Li', 'Mn', 'O']
mp-1175570
Li9Mn2Co5O16
4
true
0.156983
0.217017
0.050201
true
0.25421
-0.398782
['Co', 'Li', 'Mn', 'O']
mp-1175573
Li9Mn2Co5O16
4
true
0.197102
0.227597
-0.868213
false
0.285757
-0.408257
['Co', 'Li', 'Mn', 'O']
mp-1175612
Li9Mn2Co5O16
4
true
0.159325
0.217634
-0.373255
false
0.304832
-0.413883
['Co', 'Li', 'Mn', 'O']
mp-1175614
Li9Mn2Co5O16
4
true
0.22151
0.234034
-0.868213
false
0.263397
-0.401564
['Co', 'Li', 'Mn', 'O']
mp-1175633
Li9Mn2Co5O16
4
true
0.16589
0.219366
-0.55878
false
0.263719
-0.401661
['Co', 'Li', 'Mn', 'O']
mp-1175601
Li9Mn2Co5O16
4
true
0.156258
0.216825
-0.845259
false
0.290939
-0.409793
['Co', 'Li', 'Mn', 'O']
mp-1175624
Li9Mn2Co5O16
4
true
0.154234
0.216292
-0.038567
false
0.281277
-0.406924
['Co', 'Li', 'Mn', 'O']
mp-1175629
Li9Mn2Co5O16
4
true
0.177501
0.222428
-0.567108
false
0.297597
-0.411758
['Co', 'Li', 'Mn', 'O']
mp-1175576
Li9Mn2Co5O16
4
true
0.151387
0.215541
-0.064228
false
0.289119
-0.409254
['Co', 'Li', 'Mn', 'O']
mp-1175580
Li9Mn2Co5O16
4
true
0.153536
0.216108
0.032258
true
0.288164
-0.408971
['Co', 'Li', 'Mn', 'O']
mp-1175603
Li9Mn2Co5O16
4
true
0.157727
0.217213
-0.387
false
0.353281
-0.427834
['Co', 'Li', 'Mn', 'O']