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-1977559
Li7Mn4CoO12
4
true
-0.067481
0.112298
-0.868213
false
0.131602
0.02351
['Co', 'Li', 'Mn', 'O']
mp-1650552
Li7Mn4CoO12
4
true
-0.102539
0.103052
-0.868213
false
0.164816
0.007838
['Co', 'Li', 'Mn', 'O']
mp-1643524
Li7Mn4CoO12
4
true
-0.109649
0.101177
-0.343057
false
0.166127
0.007228
['Co', 'Li', 'Mn', 'O']
mp-1667041
Li7Mn4CoO12
4
true
-0.120144
0.098409
-0.346239
false
0.162402
0.008964
['Co', 'Li', 'Mn', 'O']
mp-554752
RbLi7(SiO4)2
4
false
-0.72671
0.302935
2.431075
true
-0.722615
-0.095269
['Li', 'O', 'Rb', 'Si']
mp-752502
Li7Cr3(SiO6)2
4
false
-0.661897
0.003549
1.395998
true
-0.056267
-0.053876
['Cr', 'Li', 'O', 'Si']
mp-753111
Li7Fe3(SiO6)2
4
true
-0.397468
0.116193
0.290096
true
-0.041667
-0.634504
['Fe', 'Li', 'O', 'Si']
mp-754101
RbLi7(NiO3)2
4
true
0.320163
0.61509
0.833466
true
-0.444064
-0.698401
['Li', 'Ni', 'O', 'Rb']
mp-754136
CsLi7(NiO3)2
4
true
0.345516
0.623092
0.785121
true
-0.249388
-0.677554
['Cs', 'Li', 'Ni', 'O']
mp-756986
Li7Si2(NiO4)3
4
true
-0.167669
0.274356
-0.868213
false
0.136698
-0.664837
['Li', 'Ni', 'O', 'Si']
mp-767011
Li7Mn3(SiO6)2
4
true
-0.498761
0.064382
0.036388
true
-0.05562
-0.634629
['Li', 'Mn', 'O', 'Si']
mp-766202
Li7Ti3(SiO6)2
4
false
-0.970859
-0.014189
-0.868213
false
-0.125772
-0.645418
['Li', 'O', 'Si', 'Ti']
mp-768747
Li7Bi(BO4)2
4
false
-0.357305
0.313029
0.772053
true
0.030238
-0.209321
['B', 'Bi', 'Li', 'O']
mp-860886
Li7Cu(SiO4)2
4
false
-0.519702
0.307258
-0.101875
false
-0.797982
-0.12713
['Cu', 'Li', 'O', 'Si']
mp-757222
Li7Fe2P7O24
4
true
-0.634247
0.015322
0.863461
true
-0.677846
1.428417
['Fe', 'Li', 'O', 'P']
mp-757327
Li7Ti2P7O24
4
false
-0.837361
-0.02991
-0.715934
false
-0.714753
1.42621
['Li', 'O', 'P', 'Ti']
mp-757328
Li7Mn2P7O24
4
true
-0.670821
-0.004363
-0.033624
false
-0.691145
1.441522
['Li', 'Mn', 'O', 'P']
mp-759424
Li7Bi2P7O24
4
false
-0.660814
0.074759
2.203029
true
-0.204363
1.733224
['Bi', 'Li', 'O', 'P']
mp-762329
Li7Sb2P7O24
4
false
-0.619957
0.082068
1.918581
true
-0.534081
1.662581
['Li', 'O', 'P', 'Sb']
mp-758404
Li7V2P7O24
4
false
-0.757625
-0.026122
0.888311
true
-0.698682
1.42435
['Li', 'O', 'P', 'V']
mp-772556
Li7Cr2P7O24
4
false
-0.721983
-0.024979
0.967328
true
-0.689846
1.418857
['Cr', 'Li', 'O', 'P']
mp-867543
Li7Ni2P7O24
4
true
-0.500947
0.0895
-0.868213
false
-0.676231
1.446009
['Li', 'Ni', 'O', 'P']
mp-757472
Li7Mn7(P4O17)2
4
true
-0.514881
-0.094667
-0.173376
false
-0.753481
3.238465
['Li', 'Mn', 'O', 'P']
mp-772948
Li7V7(P4O17)2
4
false
-0.699206
-0.140446
-0.104922
false
-0.759483
3.151231
['Li', 'O', 'P', 'V']
mp-772520
Li7Cr7(P4O17)2
4
false
-0.62815
-0.142349
0.662499
true
-0.708592
3.053473
['Cr', 'Li', 'O', 'P']
mp-1198740
Li7Nd3Zr2O12
4
false
-1.225704
-0.043471
2.026307
true
1.027123
1.86721
['Li', 'Nd', 'O', 'Zr']
mp-1200057
Li7La3(SnO6)2
4
false
-0.804804
0.171172
1.759192
true
1.067081
1.97232
['La', 'Li', 'O', 'Sn']
mp-1198622
Li7La3Hf2O12
4
false
-1.332472
-0.111797
2.069303
true
1.707374
1.848659
['Hf', 'La', 'Li', 'O']
mp-942733
Li7La3Zr2O12
4
false
-1.26537
-0.06002
1.954467
true
0.841411
1.978017
['La', 'Li', 'O', 'Zr']
mp-767392
Li7Ti7Nb5O30
4
false
-1.217886
-0.366857
0.568518
true
0.167235
0.353895
['Li', 'Nb', 'O', 'Ti']
mp-760371
Li7V4(PO4)6
4
false
-0.797802
-0.093669
-0.868213
false
-0.601514
0.14454
['Li', 'O', 'P', 'V']
mp-767146
Li7Ti12NbO30
4
false
-1.3795
-0.372407
0.906051
true
-0.048539
0.321027
['Li', 'Nb', 'O', 'Ti']
mp-772995
Li7Ti12Fe5O32
4
true
-1.051198
-0.338398
-0.868213
false
0.024474
0.552532
['Fe', 'Li', 'O', 'Ti']
mp-773172
Li7Mn12Cu5O32
4
true
0.194846
0.024705
-0.868213
false
0.470811
0.417123
['Cu', 'Li', 'Mn', 'O']
mp-1176897
Li7V3P8O29
4
false
-0.780222
-0.071011
-0.139928
false
-0.783372
2.156986
['Li', 'O', 'P', 'V']
mp-1642504
Li7Si2(NiO4)3
4
true
-0.171212
0.273421
-0.436496
false
0.142141
-0.093878
['Li', 'Ni', 'O', 'Si']
mp-760789
Li7V3P8O29
4
false
-0.780265
-0.071022
-0.162204
false
-0.767722
2.126474
['Li', 'O', 'P', 'V']
mp-761127
Li7V3P8O29
4
false
-0.770786
-0.068522
-0.340755
false
-0.750286
2.093119
['Li', 'O', 'P', 'V']
mp-1175177
Li7Mn2(CoO4)3
4
true
0.2757
0.251854
-0.868213
false
0.132138
-0.597743
['Co', 'Li', 'Mn', 'O']
mp-1175196
Li7Mn2(CoO4)3
4
true
0.278727
0.252652
-0.868213
false
0.150331
-0.602124
['Co', 'Li', 'Mn', 'O']
mp-1175227
Li7Mn2(CoO4)3
4
true
0.288813
0.255312
-0.868213
false
0.12068
-0.594953
['Co', 'Li', 'Mn', 'O']
mp-1175207
Li7Mn2(CoO4)3
4
true
0.309152
0.260676
-0.868213
false
0.156892
-0.603689
['Co', 'Li', 'Mn', 'O']
mp-1175209
Li7Mn2(CoO4)3
4
true
0.484116
0.306819
-0.868213
false
0.134564
-0.598331
['Co', 'Li', 'Mn', 'O']
mp-1175139
Li7Mn2(CoO4)3
4
true
0.254484
0.246258
-0.868213
false
0.166865
-0.606054
['Co', 'Li', 'Mn', 'O']
mp-1174516
Li7Mn2(CoO4)3
4
true
0.084708
0.201484
-0.216304
false
0.237903
-0.6224
['Co', 'Li', 'Mn', 'O']
mp-1174511
Li7Mn2(CoO4)3
4
true
0.097512
0.20486
-0.851895
false
0.20573
-0.615103
['Co', 'Li', 'Mn', 'O']
mp-1174523
Li7Mn2(CoO4)3
4
true
0.094314
0.204017
-0.10174
false
0.222728
-0.618979
['Co', 'Li', 'Mn', 'O']
mp-1174530
Li7Mn2(CoO4)3
4
true
0.09343
0.203784
-0.396751
false
0.226579
-0.001552
['Co', 'Li', 'Mn', 'O']
mp-1174535
Li7Mn2(CoO4)3
4
true
0.080112
0.200272
-0.344208
false
0.267663
-0.628999
['Co', 'Li', 'Mn', 'O']
mp-1174545
Li7Mn2(CoO4)3
4
true
0.080153
0.200282
-0.116839
false
0.232453
-0.621175
['Co', 'Li', 'Mn', 'O']
mp-1174855
Li7Mn2(CoO4)3
4
true
0.085089
0.201584
-0.147444
false
0.216867
-0.617648
['Co', 'Li', 'Mn', 'O']
mp-1174512
Li7Mn2(CoO4)3
4
true
0.097245
0.20479
-0.013311
false
0.222765
-0.618988
['Co', 'Li', 'Mn', 'O']
mp-1174838
Li7Mn2(CoO4)3
4
true
0.11263
0.208847
-0.612744
false
0.222416
0.000332
['Co', 'Li', 'Mn', 'O']
mp-1174555
Li7Mn2(CoO4)3
4
true
0.093938
0.203918
-0.463851
false
0.211309
-0.61638
['Co', 'Li', 'Mn', 'O']
mp-1174569
Li7Mn2(CoO4)3
4
true
0.087987
0.202348
-0.0148
false
0.218424
-0.618002
['Co', 'Li', 'Mn', 'O']
mp-1174576
Li7Mn2(CoO4)3
4
true
0.089414
0.202725
-0.052176
false
0.219068
-0.618149
['Co', 'Li', 'Mn', 'O']
mp-1174863
Li7Mn2(CoO4)3
4
true
0.086807
0.202037
-0.12212
false
0.241667
-0.623242
['Co', 'Li', 'Mn', 'O']
mp-1174506
Li7Mn2(CoO4)3
4
true
0.075155
0.198964
0.141338
true
0.216648
-0.617598
['Co', 'Li', 'Mn', 'O']
mp-1174528
Li7Mn2(CoO4)3
4
true
0.092491
0.203536
-0.33026
false
0.224558
-0.000638
['Co', 'Li', 'Mn', 'O']
mp-1174533
Li7Mn2(CoO4)3
4
true
0.098896
0.205226
-0.419433
false
0.206719
-0.615329
['Co', 'Li', 'Mn', 'O']
mp-1174860
Li7Mn2(CoO4)3
4
true
0.163994
0.222394
-0.868213
false
0.189684
-0.611398
['Co', 'Li', 'Mn', 'O']
mp-1174514
Li7Mn2(CoO4)3
4
true
0.099857
0.205479
-0.29715
false
0.213547
-0.616891
['Co', 'Li', 'Mn', 'O']
mp-1174539
Li7Mn2(CoO4)3
4
true
0.086048
0.201837
-0.23594
false
0.23322
-0.621348
['Co', 'Li', 'Mn', 'O']
mp-1174543
Li7Mn2(CoO4)3
4
true
0.094603
0.204093
-0.302025
false
0.204193
-0.614749
['Co', 'Li', 'Mn', 'O']
mp-1174622
Li7Mn2(CoO4)3
4
true
0.072768
0.198335
0.189006
true
0.219693
-0.618291
['Co', 'Li', 'Mn', 'O']
mp-1174656
Li7Mn2(CoO4)3
4
true
0.097891
0.20496
-0.459382
false
0.225567
-0.619622
['Co', 'Li', 'Mn', 'O']
mp-1174851
Li7Mn2(CoO4)3
4
true
0.30361
0.259214
-0.868213
false
0.19405
-0.61241
['Co', 'Li', 'Mn', 'O']
mp-1174854
Li7Mn2(CoO4)3
4
true
0.094816
0.20415
-0.044796
false
0.214488
-0.617106
['Co', 'Li', 'Mn', 'O']
mp-1174865
Li7Mn2(CoO4)3
4
true
0.162139
0.221905
-0.868213
false
0.17207
-0.607281
['Co', 'Li', 'Mn', 'O']
mp-1174869
Li7Mn2(CoO4)3
4
true
0.092062
0.203423
-0.552347
false
0.223072
0.000035
['Co', 'Li', 'Mn', 'O']
mp-1174890
Li7Mn2(CoO4)3
4
true
0.159507
0.22121
-0.868213
false
0.155357
-0.603324
['Co', 'Li', 'Mn', 'O']
mp-1174895
Li7Mn2(CoO4)3
4
true
0.155762
0.220223
-0.832056
false
0.15776
-0.603895
['Co', 'Li', 'Mn', 'O']
mp-1175125
Li7Mn4CoO12
4
true
-0.106836
0.101919
-0.463106
false
0.154925
0.012464
['Co', 'Li', 'Mn', 'O']
mp-1175141
Li7Mn4CoO12
4
true
-0.117859
0.099012
-0.868213
false
0.152236
0.013728
['Co', 'Li', 'Mn', 'O']
mp-1175149
Li7Mn4CoO12
4
true
-0.101341
0.103368
-0.411782
false
0.187714
-0.620445
['Co', 'Li', 'Mn', 'O']
mp-1175158
Li7Mn4CoO12
4
true
-0.102107
0.103166
-0.243659
false
0.173721
-0.617224
['Co', 'Li', 'Mn', 'O']
mp-1174872
Li7Mn2(CoO4)3
4
true
0.198487
0.231491
0.070446
true
0.205393
-0.615025
['Co', 'Li', 'Mn', 'O']
mp-1174877
Li7Mn2(CoO4)3
4
true
0.151772
0.21917
-0.868213
false
0.179441
-0.60901
['Co', 'Li', 'Mn', 'O']
mp-1175161
Li7Mn4CoO12
4
true
-0.101154
0.103417
-0.344072
false
0.163544
0.008431
['Co', 'Li', 'Mn', 'O']
mp-1174868
Li7Mn2(CoO4)3
4
true
0.103296
0.206386
-0.484841
false
0.202395
-0.614336
['Co', 'Li', 'Mn', 'O']
mp-1174880
Li7Mn2(CoO4)3
4
true
0.158166
0.220857
-0.819259
false
0.149019
-0.60181
['Co', 'Li', 'Mn', 'O']
mp-1174888
Li7Mn2(CoO4)3
4
true
0.225018
0.238488
-0.868213
false
0.200188
-0.613828
['Co', 'Li', 'Mn', 'O']
mp-1174908
Li7Mn2(CoO4)3
4
true
0.14391
0.217097
-0.868213
false
0.230989
-0.620846
['Co', 'Li', 'Mn', 'O']
mp-1174886
Li7Mn2(CoO4)3
4
true
0.086166
0.201868
0.026164
true
0.224173
-0.619307
['Co', 'Li', 'Mn', 'O']
mp-1175148
Li7Mn4CoO12
4
true
-0.112421
0.100446
-0.27054
false
0.153461
0.013152
['Co', 'Li', 'Mn', 'O']
mp-1174878
Li7Mn2(CoO4)3
4
true
0.155948
0.220272
-0.868213
false
0.16208
-0.604921
['Co', 'Li', 'Mn', 'O']
mp-1174913
Li7Mn2(CoO4)3
4
true
0.194335
0.230395
-0.868213
false
0.186197
-0.610587
['Co', 'Li', 'Mn', 'O']
mp-1175160
Li7Mn4CoO12
4
true
-0.097355
0.104419
-0.389167
false
0.182568
-0.00038
['Co', 'Li', 'Mn', 'O']
mp-1174867
Li7Mn2(CoO4)3
4
true
0.163087
0.222154
-0.868213
false
0.142247
-0.600184
['Co', 'Li', 'Mn', 'O']
mp-1174875
Li7Mn2(CoO4)3
4
true
0.157592
0.220705
-0.868213
false
0.131802
-0.597661
['Co', 'Li', 'Mn', 'O']
mp-1174905
Li7Mn2(CoO4)3
4
true
0.163476
0.222257
-0.760013
false
0.170195
-0.606839
['Co', 'Li', 'Mn', 'O']
mp-1175153
Li7Mn4CoO12
4
true
-0.099005
0.103984
-0.366484
false
0.159897
0.010134
['Co', 'Li', 'Mn', 'O']
mp-1175159
Li7Mn4CoO12
4
true
-0.092329
0.105745
-0.278936
false
0.115449
-0.603437
['Co', 'Li', 'Mn', 'O']
mp-1175164
Li7Mn4CoO12
4
true
-0.071126
0.111336
-0.72521
false
0.150036
0.014763
['Co', 'Li', 'Mn', 'O']
mp-1174864
Li7Mn2(CoO4)3
4
true
0.086028
0.201832
-0.155907
false
0.217534
-0.6178
['Co', 'Li', 'Mn', 'O']
mp-1174871
Li7Mn2(CoO4)3
4
true
0.097305
0.204806
-0.18509
false
0.207661
-0.615545
['Co', 'Li', 'Mn', 'O']
mp-1174876
Li7Mn2(CoO4)3
4
true
0.163966
0.222386
-0.868213
false
0.179644
-0.609058
['Co', 'Li', 'Mn', 'O']
mp-1175175
Li7Mn4CoO12
4
true
-0.074404
0.110472
-0.539415
false
0.134495
-0.60801
['Co', 'Li', 'Mn', 'O']
mp-1175225
Li7Mn4CoO12
4
true
0.162107
0.172847
0.121635
true
0.113258
-0.602907
['Co', 'Li', 'Mn', 'O']
mp-1175210
Li7Mn4CoO12
4
true
-0.010801
0.127246
-0.868213
false
0.07269
-0.592925
['Co', 'Li', 'Mn', 'O']