material_id
stringlengths
6
10
formula_pretty
stringlengths
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-761017
Li7Fe4(PO4)6
4
true
-0.55856
-0.013197
-0.43047
false
-0.575293
0.158331
['Fe', 'Li', 'O', 'P']
mp-761154
Li7Mn(OF)3
4
true
-0.492306
0.515474
0.865967
true
-0.960753
-0.374083
['F', 'Li', 'Mn', 'O']
mp-761099
Li7VO5F
4
false
-0.428161
0.408247
0.305331
true
-1.00841
-0.389375
['F', 'Li', 'O', 'V']
mp-761220
Li7Fe8(BO3)8
4
true
-0.370018
-0.122594
0.169776
true
-0.294924
0.1612
['B', 'Fe', 'Li', 'O']
mp-761279
Li7Ni(O2F)2
4
true
-0.173901
0.606654
0.19273
true
-0.756102
-0.472188
['F', 'Li', 'Ni', 'O']
mp-764775
Li7VO5F
4
false
-0.403129
0.414848
0.482053
true
-0.772829
0.229075
['F', 'Li', 'O', 'V']
mp-764896
Li7Fe8(BO3)8
4
true
-0.369457
-0.122446
-0.085218
false
-0.313
0.172718
['B', 'Fe', 'Li', 'O']
mp-764844
Li7V4O11F
4
false
-0.572584
0.050047
0.049253
true
-0.190233
-0.619266
['F', 'Li', 'O', 'V']
mp-766227
Li7Mn(O2F)2
4
true
-0.16051
0.540097
0.72425
true
-0.81948
-0.457717
['F', 'Li', 'Mn', 'O']
mp-766052
Li7Mn(O2F)2
4
true
-0.391049
0.479297
0.268226
true
-0.842758
-0.446815
['F', 'Li', 'Mn', 'O']
mp-766140
K4Li7Mn2O8
4
true
0.1673
0.535642
-0.785539
false
-0.734443
0.362937
['K', 'Li', 'Mn', 'O']
mp-767467
Li7Y7Zr9S32
4
false
0.005305
0.124851
-0.045541
false
-0.332782
2.473604
['Li', 'S', 'Y', 'Zr']
mp-769539
Li7VGeO8
4
false
-0.429446
0.287896
1.509818
true
-0.718123
-0.162825
['Ge', 'Li', 'O', 'V']
mp-769877
Li7Nb2Fe3O16
4
true
-0.057155
0.092191
-0.868213
false
-0.0368
-0.384426
['Fe', 'Li', 'Nb', 'O']
mp-769505
Li7Mn10Cr6O32
4
true
-0.196566
-0.207735
-0.868213
false
0.210445
0.439196
['Cr', 'Li', 'Mn', 'O']
mp-771056
Li7Ti5Mn12O32
4
true
-0.532102
-0.265359
-0.868213
false
0.111357
0.548206
['Li', 'Mn', 'O', 'Ti']
mp-773078
Li7Ca8Nb12O40
4
false
-1.235686
-0.296511
-0.868213
false
0.311647
1.177565
['Ca', 'Li', 'Nb', 'O']
mp-775890
Li7V6(OF)12
4
false
-0.808577
0.147607
-0.666574
false
-0.423293
1.143381
['F', 'Li', 'O', 'V']
mp-777404
Li7Mn8(BO3)8
4
true
-0.561474
-0.207262
-0.588369
false
-0.382383
0.207802
['B', 'Li', 'Mn', 'O']
mp-777865
Li7Mn8(BO3)8
4
true
-0.560985
-0.207133
-0.811878
false
-0.394548
0.21612
['B', 'Li', 'Mn', 'O']
mp-778813
Li7Mn8(BO3)8
4
true
-0.56092
-0.207116
-0.668537
false
-0.387427
0.211239
['B', 'Li', 'Mn', 'O']
mp-779028
Li7Mn8(BO3)8
4
true
-0.562029
-0.207409
-0.710382
false
-0.381778
0.207391
['B', 'Li', 'Mn', 'O']
mp-779060
Li7Mn8(BO3)8
4
true
-0.561493
-0.207267
-0.685126
false
-0.395958
0.217091
['B', 'Li', 'Mn', 'O']
mp-779296
Li7Mn8(BO3)8
4
true
-0.561319
-0.207221
-0.567853
false
-0.382072
0.20759
['B', 'Li', 'Mn', 'O']
mp-779303
Li7Mn8(BO3)8
4
true
-0.561618
-0.2073
-0.736856
false
-0.382258
0.207717
['B', 'Li', 'Mn', 'O']
mp-779356
Li7Mn8(BO3)8
4
true
-0.560728
-0.207066
-0.673886
false
-0.390638
0.213436
['B', 'Li', 'Mn', 'O']
mp-779313
Li7Mn8(BO3)8
4
true
-0.560703
-0.207059
-0.599744
false
-0.264264
0.131719
['B', 'Li', 'Mn', 'O']
mp-781628
Li7Mn8(BO3)8
4
true
-0.561619
-0.2073
-0.48633
false
-0.376838
0.204041
['B', 'Li', 'Mn', 'O']
mp-799539
Li7Ni(O2F)2
4
true
1.092239
0.940571
-0.756018
false
-0.74003
-0.479147
['F', 'Li', 'Ni', 'O']
mp-799423
Li7Mn(OF)3
4
true
1.279446
0.982735
-0.868213
false
-0.960753
-0.374083
['F', 'Li', 'Mn', 'O']
mp-799536
Li7VO5F
4
false
0.350346
0.613561
-0.16647
false
-0.781416
-0.86952
['F', 'Li', 'O', 'V']
mp-802479
Li7Mn(O2F)2
4
true
1.024777
0.85269
-0.637932
false
-0.841296
-0.447509
['F', 'Li', 'Mn', 'O']
mp-849470
Li7Co(O2F)2
4
true
-0.245596
0.559699
-0.036941
false
-0.809739
-0.447107
['Co', 'F', 'Li', 'O']
mp-849679
Li7Mn4(P2O7)4
4
true
-0.721883
-0.083086
-0.7657
false
-0.536119
1.89713
['Li', 'Mn', 'O', 'P']
mp-849710
Li7Fe8(BO3)8
4
true
-0.375547
-0.124053
0.097462
true
-0.311342
0.171653
['B', 'Fe', 'Li', 'O']
mp-849806
Li7Mn4(P2O7)4
4
true
-0.723628
-0.083547
-0.767325
false
-0.539978
1.903275
['Li', 'Mn', 'O', 'P']
mp-850667
Li7V3P8O29
4
false
-0.78077
-0.071155
-0.379011
false
-0.783801
2.157831
['Li', 'O', 'P', 'V']
mp-850710
Li7V3P8O29
4
false
-0.774771
-0.069573
-0.740106
false
-0.777833
2.146125
['Li', 'O', 'P', 'V']
mp-850795
Li7Fe(O2F)2
4
true
-0.323017
0.51158
0.918509
true
-0.845905
-0.441819
['F', 'Fe', 'Li', 'O']
mp-850007
Li7V16(PO4)24
4
false
-0.719434
-0.200492
-0.304056
false
-0.503036
3.788009
['Li', 'O', 'P', 'V']
mp-850023
Li7Fe5OF15
4
true
-0.713408
0.424537
1.171608
true
-0.824866
1.15722
['F', 'Fe', 'Li', 'O']
mp-861543
Li7V(O2F)2
4
false
1.177453
0.894574
-0.814858
false
-0.855787
-0.456089
['F', 'Li', 'O', 'V']
mp-867592
Li7V(O2F)2
4
false
-0.471273
0.459758
0.330045
true
-0.852752
0.323106
['F', 'Li', 'O', 'V']
mp-861786
Li7Co(O2F)2
4
true
1.033777
0.897106
-0.69535
false
-0.809739
-0.447107
['Co', 'F', 'Li', 'O']
mp-856325
Li7Fe(O2F)2
4
true
1.214848
0.917159
-0.868213
false
-0.845905
-0.441819
['F', 'Fe', 'Li', 'O']
mp-1174881
Li7Mn2(CoO4)3
4
true
0.084126
0.20133
-0.18096
false
0.217311
-0.617749
['Co', 'Li', 'Mn', 'O']
mp-1174892
Li7Mn2(CoO4)3
4
true
0.152598
0.219388
-0.868213
false
0.218513
-0.618022
['Co', 'Li', 'Mn', 'O']
mp-1174866
Li7Mn2(CoO4)3
4
true
0.1652
0.222712
-0.868213
false
0.197391
-0.613183
['Co', 'Li', 'Mn', 'O']
mp-1174874
Li7Mn2(CoO4)3
4
true
0.07248
0.198259
-0.356396
false
0.241419
-0.623187
['Co', 'Li', 'Mn', 'O']
mp-1174914
Li7Mn2(CoO4)3
4
true
0.170471
0.224102
-0.868213
false
0.201405
-0.614108
['Co', 'Li', 'Mn', 'O']
mp-1174903
Li7Mn2(CoO4)3
4
true
0.080931
0.200488
-0.138303
false
0.221724
-0.618752
['Co', 'Li', 'Mn', 'O']
mp-1174891
Li7Mn2(CoO4)3
4
true
0.079043
0.19999
0.040654
true
0.220331
-0.618435
['Co', 'Li', 'Mn', 'O']
mp-1174900
Li7Mn2(CoO4)3
4
true
0.19922
0.231684
-0.868213
false
0.197239
-0.613148
['Co', 'Li', 'Mn', 'O']
mp-1174917
Li7Mn2(CoO4)3
4
true
0.164228
0.222455
-0.868213
false
0.178599
-0.608813
['Co', 'Li', 'Mn', 'O']
mp-1175293
Li7Mn4CoO12
4
true
-0.049458
0.117051
-0.868213
false
0.138077
-0.608863
['Co', 'Li', 'Mn', 'O']
mp-1175271
Li7Mn4CoO12
4
true
-0.07007
0.111615
-0.788722
false
0.126288
0.026054
['Co', 'Li', 'Mn', 'O']
mp-1175275
Li7Mn4CoO12
4
true
-0.107328
0.101789
-0.346171
false
0.184616
-0.00132
['Co', 'Li', 'Mn', 'O']
mp-1175292
Li7Mn4CoO12
4
true
-0.070566
0.111484
-0.794545
false
0.132303
-0.607487
['Co', 'Li', 'Mn', 'O']
mp-1175299
Li7Mn4CoO12
4
true
-0.015231
0.126077
-0.868213
false
0.060602
-0.58989
['Co', 'Li', 'Mn', 'O']
mp-754856
Li7Y7ZrS16
4
false
-0.092348
0.263138
0.309258
true
-0.327066
0.636654
['Li', 'S', 'Y', 'Zr']
mp-27077
Li7Cr4P9O32
4
false
-0.729304
-0.099013
1.142696
true
-0.567742
2.223185
['Cr', 'Li', 'O', 'P']
mp-27081
Li7Fe4P9O32
4
true
-0.598996
-0.038243
0.897587
true
-0.592993
2.320352
['Fe', 'Li', 'O', 'P']
mp-27067
Li7Mo4P9O32
4
false
-0.651024
-0.104987
1.356862
true
-0.41159
2.503186
['Li', 'Mo', 'O', 'P']
mp-27087
Li7V4P9O32
4
false
-0.785416
-0.101109
0.624311
true
-0.62235
2.30902
['Li', 'O', 'P', 'V']
mp-757726
Li7Mn4P9O32
4
true
-0.633382
-0.062757
-0.29478
false
-0.580285
2.284838
['Li', 'Mn', 'O', 'P']
mp-1174483
Li7Mn2(CoO4)3
4
true
0.332873
0.266932
-0.868213
false
0.207821
-0.615582
['Co', 'Li', 'Mn', 'O']
mp-1175162
Li7Mn4CoO12
4
true
-0.109384
0.101247
-0.352807
false
0.177445
-0.618084
['Co', 'Li', 'Mn', 'O']
mp-1174502
Li7Mn2(CoO4)3
4
true
0.175499
0.225428
0.216022
true
0.217786
-0.617857
['Co', 'Li', 'Mn', 'O']
mp-1175279
Li7Mn4CoO12
4
true
-0.077132
0.109753
-0.868213
false
0.127371
-0.606307
['Co', 'Li', 'Mn', 'O']
mp-1174495
Li7Mn2(CoO4)3
4
true
0.084627
0.201462
-0.083458
false
0.207145
-0.615427
['Co', 'Li', 'Mn', 'O']
mp-1174525
Li7Mn2(CoO4)3
4
true
0.168112
0.22348
-0.868213
false
0.214198
-0.61704
['Co', 'Li', 'Mn', 'O']
mp-1175282
Li7Mn4CoO12
4
true
-0.018502
0.125215
-0.756898
false
0.079566
-0.594639
['Co', 'Li', 'Mn', 'O']
mp-1174508
Li7Mn2(CoO4)3
4
true
0.121394
0.211159
-0.868213
false
0.241545
-0.008281
['Co', 'Li', 'Mn', 'O']
mp-1174509
Li7Mn2(CoO4)3
4
true
0.328522
0.265785
-0.868213
false
0.188344
-0.611087
['Co', 'Li', 'Mn', 'O']
mp-1175277
Li7Mn4CoO12
4
true
-0.073424
0.11073
-0.347255
false
0.136124
-0.608398
['Co', 'Li', 'Mn', 'O']
mp-1175290
Li7Mn4CoO12
4
true
-0.07528
0.110241
-0.868213
false
0.13234
0.023157
['Co', 'Li', 'Mn', 'O']
mp-1174467
Li7Mn2(CoO4)3
4
true
0.048054
0.191817
0.26484
true
0.20497
-0.614928
['Co', 'Li', 'Mn', 'O']
mp-1174571
Li7Mn2(CoO4)3
4
true
0.242062
0.242982
-0.868213
false
0.142211
-0.600176
['Co', 'Li', 'Mn', 'O']
mp-1174572
Li7Mn2(CoO4)3
4
true
0.254578
0.246283
-0.868213
false
0.113033
-0.593077
['Co', 'Li', 'Mn', 'O']
mp-1175281
Li7Mn4CoO12
4
true
-0.07641
0.109943
-0.868213
false
0.130236
-0.606993
['Co', 'Li', 'Mn', 'O']
mp-1175361
Li7Mn4CoO12
4
true
0.049011
0.14302
-0.868213
false
0.007927
-0.576324
['Co', 'Li', 'Mn', 'O']
mp-1174501
Li7Mn2(CoO4)3
4
true
0.08624
0.201888
-0.093208
false
0.207368
-0.615478
['Co', 'Li', 'Mn', 'O']
mp-1174505
Li7Mn2(CoO4)3
4
true
0.064868
0.196251
0.209589
true
0.220872
-0.618558
['Co', 'Li', 'Mn', 'O']
mp-1174510
Li7Mn2(CoO4)3
4
true
0.182194
0.227193
-0.868213
false
0.180696
-0.609304
['Co', 'Li', 'Mn', 'O']
mp-1174527
Li7Mn2(CoO4)3
4
true
0.183631
0.227572
-0.173376
false
0.215235
-0.617276
['Co', 'Li', 'Mn', 'O']
mp-1175278
Li7Mn4CoO12
4
true
-0.07384
0.110621
-0.266748
false
0.126194
-0.606025
['Co', 'Li', 'Mn', 'O']
mp-1174493
Li7Mn2(CoO4)3
4
true
0.079839
0.2002
0.016481
true
0.231957
-0.621064
['Co', 'Li', 'Mn', 'O']
mp-1174500
Li7Mn2(CoO4)3
4
true
0.136317
0.215095
-0.868213
false
0.201199
-0.614061
['Co', 'Li', 'Mn', 'O']
mp-1174515
Li7Mn2(CoO4)3
4
true
0.077821
0.199667
-0.087724
false
0.228696
-0.620329
['Co', 'Li', 'Mn', 'O']
mp-1174551
Li7Mn2(CoO4)3
4
true
0.178705
0.226273
-0.868213
false
0.192194
-0.611981
['Co', 'Li', 'Mn', 'O']
mp-1174578
Li7Mn2(CoO4)3
4
true
0.124019
0.211851
-0.868213
false
0.160112
-0.604454
['Co', 'Li', 'Mn', 'O']
mp-1175280
Li7Mn4CoO12
4
true
-0.075585
0.110161
-0.868213
false
0.123953
0.027174
['Co', 'Li', 'Mn', 'O']
mp-1174485
Li7Mn2(CoO4)3
4
true
0.082529
0.200909
-0.233096
false
0.206796
-0.615347
['Co', 'Li', 'Mn', 'O']
mp-1174526
Li7Mn2(CoO4)3
4
true
0.166593
0.223079
-0.868213
false
0.184212
-0.610125
['Co', 'Li', 'Mn', 'O']
mp-1175268
Li7Mn4CoO12
4
true
-0.106015
0.102135
-0.401355
false
0.151417
0.014113
['Co', 'Li', 'Mn', 'O']
mp-1176994
Li7V3(SiO6)2
4
false
-0.702658
0.013441
0.251976
true
-0.105065
-0.038281
['Li', 'O', 'Si', 'V']
mp-1639391
Li7Mn4CoO12
4
true
-0.105462
0.102281
-0.361203
false
0.153239
0.013256
['Co', 'Li', 'Mn', 'O']
mp-1639755
Li7Mn4CoO12
4
true
-0.073678
0.110663
-0.625812
false
0.13734
0.020774
['Co', 'Li', 'Mn', 'O']
mp-1640528
Li7Mn4CoO12
4
true
-0.074437
0.110463
-0.648292
false
0.163461
0.00847
['Co', 'Li', 'Mn', 'O']
mp-1642922
Li7Mn4CoO12
4
true
-0.102131
0.10316
-0.847494
false
0.171466
0.004747
['Co', 'Li', 'Mn', 'O']