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-1174918
Li7Mn2(CoO4)3
4
true
0.094185
0.203983
-0.853723
false
0.227859
-0.62014
['Co', 'Li', 'Mn', 'O']
mp-1174924
Li7Mn2(CoO4)3
4
true
0.092463
0.203529
-0.250972
false
0.229179
-0.620438
['Co', 'Li', 'Mn', 'O']
mp-1174884
Li7Mn2(CoO4)3
4
true
0.098983
0.205248
-0.556748
false
0.244231
-0.623815
['Co', 'Li', 'Mn', 'O']
mp-1174923
Li7Mn2(CoO4)3
4
true
0.08342
0.201144
-0.464731
false
0.21019
-0.616124
['Co', 'Li', 'Mn', 'O']
mp-1174927
Li7Mn2(CoO4)3
4
true
0.098189
0.205039
-0.570223
false
0.248721
-0.624815
['Co', 'Li', 'Mn', 'O']
mp-1174920
Li7Mn2(CoO4)3
4
true
0.082125
0.200803
-0.348677
false
0.244994
-0.623985
['Co', 'Li', 'Mn', 'O']
mp-1174929
Li7Mn2(CoO4)3
4
true
0.097306
0.204806
-0.792581
false
0.258428
-0.626966
['Co', 'Li', 'Mn', 'O']
mp-1174934
Li7Mn2(CoO4)3
4
true
0.102331
0.206131
-0.854806
false
0.218107
-0.61793
['Co', 'Li', 'Mn', 'O']
mp-1174936
Li7Mn2(CoO4)3
4
true
0.154533
0.219899
-0.868213
false
0.234826
-0.621709
['Co', 'Li', 'Mn', 'O']
mp-1174940
Li7Mn2(CoO4)3
4
true
0.099484
0.20538
-0.371563
false
0.210025
-0.616087
['Co', 'Li', 'Mn', 'O']
mp-1174955
Li7Mn2(CoO4)3
4
true
0.082486
0.200898
-0.383412
false
0.208303
-0.615692
['Co', 'Li', 'Mn', 'O']
mp-1174963
Li7Mn2(CoO4)3
4
true
0.106947
0.207349
-0.267628
false
0.217919
-0.617887
['Co', 'Li', 'Mn', 'O']
mp-1174973
Li7Mn2(CoO4)3
4
true
0.085542
0.201704
-0.245216
false
0.218813
-0.618091
['Co', 'Li', 'Mn', 'O']
mp-1175044
Li7Mn2(CoO4)3
4
true
0.15789
0.220784
-0.868213
false
0.17297
-0.607492
['Co', 'Li', 'Mn', 'O']
mp-1175046
Li7Mn2(CoO4)3
4
true
0.133539
0.214362
-0.868213
false
0.177047
-0.60845
['Co', 'Li', 'Mn', 'O']
mp-1174949
Li7Mn2(CoO4)3
4
true
0.092077
0.203427
-0.126928
false
0.221964
-0.618806
['Co', 'Li', 'Mn', 'O']
mp-1174956
Li7Mn2(CoO4)3
4
true
0.091453
0.203263
-0.113927
false
0.214996
-0.617222
['Co', 'Li', 'Mn', 'O']
mp-1174992
Li7Mn2(CoO4)3
4
true
0.111887
0.208652
-0.868213
false
0.223328
-0.619115
['Co', 'Li', 'Mn', 'O']
mp-1174997
Li7Mn2(CoO4)3
4
true
0.0983
0.205068
-0.561285
false
0.228706
-0.620331
['Co', 'Li', 'Mn', 'O']
mp-1175038
Li7Mn2(CoO4)3
4
true
0.13065
0.2136
-0.868213
false
0.199005
-0.613555
['Co', 'Li', 'Mn', 'O']
mp-1175039
Li7Mn2(CoO4)3
4
true
0.131006
0.213694
-0.868213
false
0.187453
-0.61088
['Co', 'Li', 'Mn', 'O']
mp-1174935
Li7Mn2(CoO4)3
4
true
0.081503
0.200639
-0.238987
false
0.253445
-0.625864
['Co', 'Li', 'Mn', 'O']
mp-1174951
Li7Mn2(CoO4)3
4
true
0.092838
0.203628
-0.506576
false
0.206887
-0.615368
['Co', 'Li', 'Mn', 'O']
mp-1174943
Li7Mn2(CoO4)3
4
true
0.072732
0.198325
-0.382599
false
0.25879
-0.627046
['Co', 'Li', 'Mn', 'O']
mp-1174953
Li7Mn2(CoO4)3
4
true
0.093037
0.20368
-0.680454
false
0.283029
-0.632351
['Co', 'Li', 'Mn', 'O']
mp-1175025
Li7Mn2(CoO4)3
4
true
0.089105
0.202643
-0.458637
false
0.201013
-0.614018
['Co', 'Li', 'Mn', 'O']
mp-1175034
Li7Mn2(CoO4)3
4
true
0.08433
0.201384
-0.524925
false
0.259171
-0.62713
['Co', 'Li', 'Mn', 'O']
mp-1175036
Li7Mn2(CoO4)3
4
true
0.130424
0.21354
-0.868213
false
0.202572
-0.614377
['Co', 'Li', 'Mn', 'O']
mp-1175045
Li7Mn2(CoO4)3
4
true
0.132721
0.214146
-0.868213
false
0.204402
-0.614798
['Co', 'Li', 'Mn', 'O']
mp-1175047
Li7Mn2(CoO4)3
4
true
0.155541
0.220164
-0.848509
false
0.168148
-0.606356
['Co', 'Li', 'Mn', 'O']
mp-1174937
Li7Mn2(CoO4)3
4
true
0.075884
0.199157
-0.353484
false
0.263709
-0.62813
['Co', 'Li', 'Mn', 'O']
mp-1175016
Li7Mn2(CoO4)3
4
true
0.129416
0.213275
-0.813639
false
0.206178
-0.615205
['Co', 'Li', 'Mn', 'O']
mp-1175032
Li7Mn2(CoO4)3
4
true
0.133591
0.214376
-0.868213
false
0.190503
-0.611588
['Co', 'Li', 'Mn', 'O']
mp-1175042
Li7Mn2(CoO4)3
4
true
0.161323
0.221689
-0.831785
false
0.164734
-0.60555
['Co', 'Li', 'Mn', 'O']
mp-1174938
Li7Mn2(CoO4)3
4
true
0.120814
0.211006
-0.653709
false
0.263674
-0.628123
['Co', 'Li', 'Mn', 'O']
mp-1174972
Li7Mn2(CoO4)3
4
true
0.09544
0.204314
-0.490122
false
0.218476
-0.618014
['Co', 'Li', 'Mn', 'O']
mp-1174988
Li7Mn2(CoO4)3
4
true
0.094129
0.203968
-0.561691
false
0.225937
-0.619706
['Co', 'Li', 'Mn', 'O']
mp-1174999
Li7Mn2(CoO4)3
4
true
0.211601
0.234949
-0.581869
false
0.256178
-0.626469
['Co', 'Li', 'Mn', 'O']
mp-1175043
Li7Mn2(CoO4)3
4
true
0.133225
0.214279
-0.868213
false
0.206619
-0.615307
['Co', 'Li', 'Mn', 'O']
mp-1174939
Li7Mn2(CoO4)3
4
true
0.089065
0.202633
0.030362
true
0.244405
-0.623854
['Co', 'Li', 'Mn', 'O']
mp-1174964
Li7Mn2(CoO4)3
4
true
0.115069
0.209491
-0.301889
false
0.213782
-0.616945
['Co', 'Li', 'Mn', 'O']
mp-1177038
Li7V3P8O29
4
false
-0.779002
-0.070689
-0.801587
false
-0.766132
2.123405
['Li', 'O', 'P', 'V']
mp-1176957
Li7Mn4(P2O7)4
4
true
-0.724829
-0.083863
-0.780055
false
-0.553263
1.924613
['Li', 'Mn', 'O', 'P']
mp-1176972
Li7V3P8O29
4
false
-0.78863
-0.073228
-0.331546
false
-0.773515
2.137705
['Li', 'O', 'P', 'V']
mp-1177028
Li7Mn4(P2O7)4
4
true
-0.725737
-0.084103
-0.777414
false
-0.533916
1.893634
['Li', 'Mn', 'O', 'P']
mp-1177121
Li7Fe4(PO4)6
4
true
-0.582035
-0.019388
0.253533
true
-0.53856
0.132299
['Fe', 'Li', 'O', 'P']
mp-1177074
Li7Mn4(P2O7)4
4
true
-0.725487
-0.084037
-0.708757
false
-0.545294
1.911779
['Li', 'Mn', 'O', 'P']
mp-1177127
Li7Mn4(P2O7)4
4
true
-0.723167
-0.083425
-0.818988
false
-0.546392
1.913541
['Li', 'Mn', 'O', 'P']
mp-1222932
Li7Ho3(MoO4)8
4
false
-0.510394
-0.175736
1.419629
true
0.609017
0.637311
['Ho', 'Li', 'Mo', 'O']
mp-1223167
Li7Eu3(MoO4)8
4
false
-0.112206
-0.169787
-0.820478
false
0.44197
0.701186
['Eu', 'Li', 'Mo', 'O']
mp-1239225
Li7SiPO8
4
false
-0.739192
0.255125
1.958123
true
-1.039981
-0.209031
['Li', 'O', 'P', 'Si']
mp-1323692
Li7Mn(OF)3
4
true
0.256582
0.712977
-0.234992
false
-0.960753
-0.374083
['F', 'Li', 'Mn', 'O']
mp-1323962
Li7V(O2F)2
4
false
0.209065
0.639183
0.166255
true
-0.855787
-0.456089
['F', 'Li', 'O', 'V']
mp-1345097
Li7Mn2(CoO4)3
4
true
0.678056
0.357966
-0.868213
false
0.183869
-0.610045
['Co', 'Li', 'Mn', 'O']
mp-1370991
Li7Co(O2F)2
4
true
0.278368
0.697883
-0.128959
false
-0.809739
-0.447107
['Co', 'F', 'Li', 'O']
mp-1367805
Li7Fe(O2F)2
4
true
0.371114
0.694642
-0.862864
false
-0.845905
-0.441819
['F', 'Fe', 'Li', 'O']
mp-1376868
Li7Mn(O2F)2
4
true
0.26244
0.651641
0.237012
true
-0.841296
-0.447509
['F', 'Li', 'Mn', 'O']
mp-1374313
Li7Ni(O2F)2
4
true
0.314627
0.735492
-0.496893
false
-0.74003
-0.479147
['F', 'Li', 'Ni', 'O']
mp-1392200
Li7VO5F
4
false
0.613145
0.682869
0.0653
true
-0.781416
-0.86952
['F', 'Li', 'O', 'V']
mp-1651188
Li7Mn4CoO12
4
true
-0.113557
0.100146
-0.332291
false
0.165507
0.007516
['Co', 'Li', 'Mn', 'O']
mp-1648338
Li7Mn2(CoO4)3
4
true
0.137215
0.215331
-0.535217
false
0.194679
-0.612556
['Co', 'Li', 'Mn', 'O']
mp-1651930
Li7Mn4CoO12
4
true
-0.070647
0.111463
-0.760351
false
0.13272
0.022976
['Co', 'Li', 'Mn', 'O']
mp-1649779
Li7Mn2(CoO4)3
4
true
0.090029
0.202887
-0.268102
false
0.238126
-0.00675
['Co', 'Li', 'Mn', 'O']
mp-1662701
Li7Ni(O2F)2
4
true
-0.175377
0.606265
-0.331411
false
-0.781826
0.316587
['F', 'Li', 'Ni', 'O']
mp-1663705
Li7Ni(O2F)2
4
true
-0.168907
0.607971
-0.076822
false
-0.78776
-0.458101
['F', 'Li', 'Ni', 'O']
mp-1666339
Li7Mn4CoO12
4
true
-0.118375
0.098875
-0.183465
false
0.157393
-0.613421
['Co', 'Li', 'Mn', 'O']
mp-1979362
Li7Mn2(CoO4)3
4
true
0.120145
0.21083
-0.685668
false
0.236153
-0.005865
['Co', 'Li', 'Mn', 'O']
mp-1977436
Li7Mn4CoO12
4
true
-0.097275
0.10444
-0.655605
false
0.149185
0.015164
['Co', 'Li', 'Mn', 'O']
mp-1667122
Li7Mn4CoO12
4
true
-0.089623
0.106458
-0.558847
false
0.153239
0.013256
['Co', 'Li', 'Mn', 'O']
mp-729675
Li7V8(PO4)12
4
false
-0.784511
-0.171191
-0.265868
false
-0.537388
1.358239
['Li', 'O', 'P', 'V']
mp-752966
Li7VO5F
4
false
-0.387191
0.419052
0.407369
true
-0.820596
-0.860967
['F', 'Li', 'O', 'V']
mp-753538
Li7MnO5F
4
true
-0.219803
0.461578
0.009575
true
-0.74321
0.233507
['F', 'Li', 'Mn', 'O']
mp-753376
Li7Mn(O2F)2
4
true
-0.402252
0.476342
0.906389
true
-0.829532
0.332056
['F', 'Li', 'Mn', 'O']
mp-753379
Li7V(O2F)2
4
false
-0.475767
0.458573
-0.190439
false
-0.825429
0.297769
['F', 'Li', 'O', 'V']
mp-753931
Li7Mn(OF)3
4
true
-0.305166
0.564828
1.051627
true
-0.866508
-0.423659
['F', 'Li', 'Mn', 'O']
mp-754420
Li7FeO5F
4
true
-0.120387
0.502138
-0.381245
false
-0.782884
-0.860094
['F', 'Fe', 'Li', 'O']
mp-756759
Li7Fe7SiO16
4
true
0.009407
0.069482
0.169438
true
-0.348099
-0.163982
['Fe', 'Li', 'O', 'Si']
mp-757263
Li7V3P8O29
4
false
-0.781025
-0.071222
-0.48132
false
-0.772172
2.135094
['Li', 'O', 'P', 'V']
mp-757373
Li7V3P8O29
4
false
-0.778095
-0.07045
-0.155366
false
-0.765808
2.12278
['Li', 'O', 'P', 'V']
mp-756994
Li7Fe7SiO16
4
true
-0.053329
0.052937
0.49336
true
-0.348865
-0.163601
['Fe', 'Li', 'O', 'Si']
mp-757637
Li7V3P8O29
4
false
-0.790535
-0.073731
-0.550587
false
-0.780165
2.150689
['Li', 'O', 'P', 'V']
mp-757654
Li7V3P8O29
4
false
-0.782411
-0.071588
-0.868213
false
-0.774947
2.140491
['Li', 'O', 'P', 'V']
mp-757689
Li7V3P8O29
4
false
-0.774628
-0.069535
-0.866114
false
-0.744891
2.082931
['Li', 'O', 'P', 'V']
mp-757432
Li7V3P8O29
4
false
-0.770393
-0.068419
-0.625812
false
-0.774759
2.140125
['Li', 'O', 'P', 'V']
mp-757679
Li7V3P8O29
4
false
-0.780365
-0.071049
-0.554446
false
-0.780025
2.150414
['Li', 'O', 'P', 'V']
mp-757710
Li7V3P8O29
4
false
-0.785771
-0.072474
-0.34326
false
-0.781326
2.152966
['Li', 'O', 'P', 'V']
mp-757708
Li7V3P8O29
4
false
-0.780843
-0.071174
-0.478679
false
-0.779251
2.148899
['Li', 'O', 'P', 'V']
mp-757389
Li7Mn11(Si3O16)2
4
true
-0.497095
-0.172774
-0.674902
false
0.103577
0.399107
['Li', 'Mn', 'O', 'Si']
mp-757556
Li7V3P8O29
4
false
-0.78735
-0.072891
-0.251039
false
-0.782976
2.156208
['Li', 'O', 'P', 'V']
mp-758444
Li7V4O11F
4
false
-0.592269
0.044856
0.207829
true
-0.234294
-0.607279
['F', 'Li', 'O', 'V']
mp-759231
Li7V4O11F
4
false
-0.568132
0.051222
-0.166741
false
-0.190583
-0.619173
['F', 'Li', 'O', 'V']
mp-759513
Li7Ni(O2F)2
4
true
-0.149029
0.613213
-0.089213
false
-0.74003
-0.479147
['F', 'Li', 'Ni', 'O']
mp-759471
Li7VO5F
4
false
-0.402795
0.414937
0.474131
true
-0.781416
-0.86952
['F', 'Li', 'O', 'V']
mp-759770
Li7Co(OF)3
4
true
-0.398253
0.582321
0.77185
true
-0.777912
-0.450535
['Co', 'F', 'Li', 'O']
mp-759661
Li7FeO5F
4
true
-0.132729
0.498883
-0.712278
false
-0.960862
0.447909
['F', 'Fe', 'Li', 'O']
mp-760033
Li7Mn4(PO4)6
4
true
-0.653584
-0.057845
-0.746132
false
-0.565578
0.145362
['Li', 'Mn', 'O', 'P']
mp-760223
Li7V3P8O29
4
false
-0.780045
-0.070964
-0.824202
false
-0.78277
2.155804
['Li', 'O', 'P', 'V']
mp-760137
Li7V(O2F)2
4
false
-0.484456
0.456282
0.642051
true
-0.823964
0.296434
['F', 'Li', 'O', 'V']
mp-760174
Li7Fe4NiO12
4
true
0.252644
0.246548
-0.868213
false
0.263411
-0.63339
['Fe', 'Li', 'Ni', 'O']
mp-760307
Li7Mn(OF)3
4
true
-0.512177
0.510233
1.218531
true
-0.847933
0.372616
['F', 'Li', 'Mn', 'O']