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-770973
|
Li24MnCr11O36
| 4
| true
| -0.274929
| 0.098983
| -0.185564
| false
| -0.121147
| 0.601625
|
['Cr', 'Li', 'Mn', 'O']
|
mp-770619
|
Li24Mn11CrO36
| 4
| true
| -0.229725
| 0.130692
| -0.02191
| false
| -0.014416
| 0.560747
|
['Cr', 'Li', 'Mn', 'O']
|
mp-770667
|
Li24MnCr11O36
| 4
| true
| -0.279876
| 0.097678
| -0.245081
| false
| -0.124028
| 0.603848
|
['Cr', 'Li', 'Mn', 'O']
|
mp-777351
|
Li24TiCr11O36
| 4
| false
| -0.352723
| 0.08357
| -0.252732
| false
| -0.132356
| 0.600758
|
['Cr', 'Li', 'O', 'Ti']
|
mp-779775
|
Li24Ti11CrO36
| 4
| false
| -1.038557
| -0.026477
| 0.035102
| true
| -0.26381
| 0.649423
|
['Cr', 'Li', 'O', 'Ti']
|
mp-779092
|
Li24Ti11CrO36
| 4
| false
| -1.039001
| -0.026594
| 0.129489
| true
| -0.27052
| 0.655081
|
['Cr', 'Li', 'O', 'Ti']
|
mp-780842
|
Li24TiCr11O36
| 4
| false
| -0.352045
| 0.083749
| -0.282524
| false
| -0.133876
| 0.601935
|
['Cr', 'Li', 'O', 'Ti']
|
mp-778889
|
Li24Ti11CrO36
| 4
| false
| -1.038998
| -0.026594
| 0.144656
| true
| -0.276853
| 0.660452
|
['Cr', 'Li', 'O', 'Ti']
|
mp-779227
|
Li24Ti11CrO36
| 4
| false
| -1.038864
| -0.026558
| 0.113848
| true
| -0.267068
| 0.652166
|
['Cr', 'Li', 'O', 'Ti']
|
mp-1218941
|
Sr10Li24NiN15
| 4
| true
| 1.551576
| 0.82454
| -0.868213
| false
| -0.615449
| 0.983807
|
['Li', 'N', 'Ni', 'Sr']
|
mp-686239
|
Sr5Li25La7Nb8O48
| 5
| false
| -0.985899
| 0.002564
| 1.306553
| true
| 0.433086
| 2.136735
|
['La', 'Li', 'Nb', 'O', 'Sr']
|
mp-686736
|
Sr5Li25La7(BiO6)8
| 5
| false
| -0.441322
| 0.301211
| 0.435536
| true
| 1.219407
| 2.223968
|
['Bi', 'La', 'Li', 'O', 'Sr']
|
mp-695291
|
Li25Ca5La7Nb8O48
| 5
| false
| -0.988515
| -0.003011
| 1.424707
| true
| 0.365906
| 1.950348
|
['Ca', 'La', 'Li', 'Nb', 'O']
|
mp-685675
|
Li26(B24O)3
| 3
| false
| 1.834883
| 0.455891
| -0.868213
| false
| -1.349681
| 1.547757
|
['B', 'Li', 'O']
|
mp-1202832
|
Ba38Na58Li26H
| 4
| false
| 2.174366
| 1.631523
| -0.831176
| false
| -1.057763
| 13.645196
|
['Ba', 'H', 'Li', 'Na']
|
mp-570185
|
Ba38Na58Li26N
| 4
| false
| 2.160067
| 1.616092
| -0.847561
| false
| -1.038013
| 13.473738
|
['Ba', 'Li', 'N', 'Na']
|
mp-676024
|
Li27Sb10
| 2
| false
| 1.38743
| -0.616521
| -0.868213
| false
| -0.247779
| 0.755084
|
['Li', 'Sb']
|
mp-676620
|
Li27As10
| 2
| false
| 1.296811
| 0.222086
| -0.868213
| false
| -0.679184
| 0.403857
|
['As', 'Li']
|
mp-531773
|
Li28Mg22N25
| 3
| false
| 1.357447
| 0.400475
| -0.868213
| false
| -0.977257
| 1.022008
|
['Li', 'Mg', 'N']
|
mp-34355
|
Li31Zr2As13
| 3
| false
| 1.497889
| 1.069759
| -0.868213
| false
| -0.496802
| 0.948488
|
['As', 'Li', 'Zr']
|
mp-34541
|
Li31Zr2P13
| 3
| false
| 1.509739
| 1.011766
| -0.868213
| false
| -1.214633
| 0.745158
|
['Li', 'P', 'Zr']
|
mp-35091
|
Li31Zr2Sb13
| 3
| false
| 1.468264
| -0.935569
| -0.868213
| false
| -0.125763
| 1.427673
|
['Li', 'Sb', 'Zr']
|
mp-1185277
|
K8Li31Al8O32
| 4
| false
| -0.45815
| 0.475767
| -0.868213
| false
| -0.98235
| 1.400551
|
['Al', 'K', 'Li', 'O']
|
mp-1177743
|
Li32Ti3Cr13O48
| 4
| false
| -0.439654
| 0.069497
| -0.103568
| false
| -0.153121
| 1.225967
|
['Cr', 'Li', 'O', 'Ti']
|
mp-1177783
|
Li32Mn11Cr5O48
| 4
| true
| -0.230248
| 0.125113
| -0.868213
| false
| -0.044011
| 1.175136
|
['Cr', 'Li', 'Mn', 'O']
|
mp-1177747
|
Li32Mn13Cr3O48
| 4
| true
| -0.236726
| 0.126372
| 0.062456
| true
| -0.032666
| 1.171702
|
['Cr', 'Li', 'Mn', 'O']
|
mp-1177991
|
Li32Mn5Cr11O48
| 4
| true
| -0.263689
| 0.107389
| -0.3956
| false
| -0.088219
| 1.195813
|
['Cr', 'Li', 'Mn', 'O']
|
mp-1177789
|
Li32Mn13Cr3O48
| 4
| true
| -0.236852
| 0.126339
| 0.021018
| true
| -0.041937
| 1.180758
|
['Cr', 'Li', 'Mn', 'O']
|
mp-1177824
|
Li32Ti13Cr3O48
| 4
| false
| -0.952066
| -0.01252
| 0.210537
| true
| -0.257571
| 1.281446
|
['Cr', 'Li', 'O', 'Ti']
|
mp-1177811
|
Li32Ti13Cr3O48
| 4
| false
| -0.951823
| -0.012456
| 0.167068
| true
| -0.259121
| 1.28318
|
['Cr', 'Li', 'O', 'Ti']
|
mp-1177737
|
Li32Ti13Cr3O48
| 4
| false
| -0.951401
| -0.012345
| 0.101728
| true
| -0.252226
| 1.275478
|
['Cr', 'Li', 'O', 'Ti']
|
mp-776968
|
Li32Ti3Cr13O48
| 4
| false
| -0.439595
| 0.069513
| -0.234315
| false
| -0.139099
| 1.211388
|
['Cr', 'Li', 'O', 'Ti']
|
mp-776967
|
Li32Ti13Cr3O48
| 4
| false
| -0.951369
| -0.012337
| 0.003143
| true
| -0.246281
| 1.268874
|
['Cr', 'Li', 'O', 'Ti']
|
mp-776969
|
Li32Ti3Cr13O48
| 4
| false
| -0.440018
| 0.069401
| -0.120495
| false
| -0.152797
| 1.225628
|
['Cr', 'Li', 'O', 'Ti']
|
mp-777110
|
Li32Ti13Cr3O48
| 4
| false
| -0.951709
| -0.012427
| 0.082295
| true
| -0.251846
| 1.275055
|
['Cr', 'Li', 'O', 'Ti']
|
mp-777044
|
Li32Ti3Cr13O48
| 4
| false
| -0.439695
| 0.069486
| -0.110948
| false
| -0.14523
| 1.217741
|
['Cr', 'Li', 'O', 'Ti']
|
mp-777376
|
Li32Ti13Cr3O48
| 4
| false
| -0.951195
| -0.012291
| 0.056566
| true
| -0.245892
| 1.268443
|
['Cr', 'Li', 'O', 'Ti']
|
mp-777374
|
Li32Ti13Cr3O48
| 4
| false
| -0.951587
| -0.012394
| 0.119806
| true
| -0.245742
| 1.268277
|
['Cr', 'Li', 'O', 'Ti']
|
mp-777397
|
Li32Ti3Cr13O48
| 4
| false
| -0.439042
| 0.069659
| -0.15997
| false
| -0.151985
| 1.224779
|
['Cr', 'Li', 'O', 'Ti']
|
mp-777345
|
Li32Ti3Cr13O48
| 4
| false
| -0.439736
| 0.069476
| -0.137693
| false
| -0.144701
| 1.217191
|
['Cr', 'Li', 'O', 'Ti']
|
mp-777593
|
Li32Ti3Cr13O48
| 4
| false
| -0.43909
| 0.069646
| -0.21908
| false
| -0.138627
| 1.2109
|
['Cr', 'Li', 'O', 'Ti']
|
mp-777691
|
Li32Mn3Cr13O48
| 4
| true
| -0.272711
| 0.102041
| -0.163085
| false
| -0.105341
| 1.205299
|
['Cr', 'Li', 'Mn', 'O']
|
mp-777735
|
Li32Ti5Cr11O48
| 4
| false
| -0.527032
| 0.057077
| -0.280899
| false
| -0.174347
| 1.237021
|
['Cr', 'Li', 'O', 'Ti']
|
mp-777558
|
Li32Ti3Cr13O48
| 4
| false
| -0.44015
| 0.069366
| -0.196939
| false
| -0.152558
| 1.225378
|
['Cr', 'Li', 'O', 'Ti']
|
mp-777734
|
Li32Mn11Cr5O48
| 4
| true
| -0.230952
| 0.124927
| -0.184752
| false
| -0.049818
| 1.180835
|
['Cr', 'Li', 'Mn', 'O']
|
mp-777482
|
Li32Ti3Cr13O48
| 4
| false
| -0.43945
| 0.069551
| -0.155975
| false
| -0.144733
| 1.217224
|
['Cr', 'Li', 'O', 'Ti']
|
mp-777576
|
Li32Mn3Cr13O48
| 4
| true
| -0.274217
| 0.101644
| -0.201476
| false
| -0.10365
| 1.20358
|
['Cr', 'Li', 'Mn', 'O']
|
mp-777838
|
Li32Mn13Cr3O48
| 4
| true
| -0.236959
| 0.126311
| -0.019066
| false
| -0.027061
| 1.16626
|
['Cr', 'Li', 'Mn', 'O']
|
mp-777750
|
Li32Mn13Cr3O48
| 4
| true
| -0.236801
| 0.126352
| -0.060504
| false
| -0.033371
| 1.172388
|
['Cr', 'Li', 'Mn', 'O']
|
mp-777827
|
Li32Mn3Cr13O48
| 4
| true
| -0.273996
| 0.101702
| -0.194028
| false
| -0.096369
| 1.196212
|
['Cr', 'Li', 'Mn', 'O']
|
mp-777837
|
Li32Mn13Cr3O48
| 4
| true
| -0.236585
| 0.126409
| 0.042414
| true
| -0.028156
| 1.167321
|
['Cr', 'Li', 'Mn', 'O']
|
mp-777770
|
Li32Mn13Cr3O48
| 4
| true
| -0.236881
| 0.126331
| -0.052853
| false
| -0.039408
| 1.178281
|
['Cr', 'Li', 'Mn', 'O']
|
mp-777842
|
Li32Mn3Cr13O48
| 4
| true
| -0.274687
| 0.10152
| -0.301009
| false
| -0.106093
| 1.206063
|
['Cr', 'Li', 'Mn', 'O']
|
mp-777797
|
Li32Mn3Cr13O48
| 4
| true
| -0.27437
| 0.101604
| -0.203913
| false
| -0.096012
| 1.195852
|
['Cr', 'Li', 'Mn', 'O']
|
mp-777826
|
Li32Mn3Cr13O48
| 4
| true
| -0.273527
| 0.101826
| -0.16884
| false
| -0.106617
| 1.206596
|
['Cr', 'Li', 'Mn', 'O']
|
mp-778088
|
Li32Mn13Cr3O48
| 4
| true
| -0.236696
| 0.12638
| -0.045202
| false
| -0.031179
| 1.170256
|
['Cr', 'Li', 'Mn', 'O']
|
mp-777884
|
Li32Mn13Cr3O48
| 4
| true
| -0.236975
| 0.126306
| -0.028545
| false
| -0.029764
| 1.168882
|
['Cr', 'Li', 'Mn', 'O']
|
mp-777959
|
Li32Mn3Cr13O48
| 4
| true
| -0.273782
| 0.101759
| -0.205403
| false
| -0.095912
| 1.195751
|
['Cr', 'Li', 'Mn', 'O']
|
mp-777936
|
Li32Ti11Cr5O48
| 4
| false
| -0.841378
| 0.006047
| -0.868213
| false
| -0.226602
| 1.258867
|
['Cr', 'Li', 'O', 'Ti']
|
mp-777886
|
Li32Mn3Cr13O48
| 4
| true
| -0.273522
| 0.101827
| -0.205877
| false
| -0.088468
| 1.188266
|
['Cr', 'Li', 'Mn', 'O']
|
mp-777960
|
Li32Mn11Cr5O48
| 4
| true
| -0.243523
| 0.121611
| -0.177507
| false
| -0.045844
| 1.176931
|
['Cr', 'Li', 'Mn', 'O']
|
mp-778189
|
Li32Mn13Cr3O48
| 4
| true
| -0.236824
| 0.126346
| -0.053327
| false
| -0.040162
| 1.179019
|
['Cr', 'Li', 'Mn', 'O']
|
mp-778110
|
Li32Mn13Cr3O48
| 4
| true
| -0.236503
| 0.126431
| -0.179538
| false
| -0.030053
| 1.169162
|
['Cr', 'Li', 'Mn', 'O']
|
mp-778190
|
Li32Mn3Cr13O48
| 4
| true
| -0.273893
| 0.101729
| -0.179267
| false
| -0.098641
| 1.198506
|
['Cr', 'Li', 'Mn', 'O']
|
mp-778359
|
Li32Mn3Cr13O48
| 4
| true
| -0.274189
| 0.101651
| -0.168501
| false
| -0.106477
| 1.206453
|
['Cr', 'Li', 'Mn', 'O']
|
mp-778621
|
Li32Ti3Cr13O48
| 4
| false
| -0.439678
| 0.069491
| -0.149407
| false
| -0.152326
| 1.225135
|
['Cr', 'Li', 'O', 'Ti']
|
mp-1177917
|
Li32Mn11Cr5O48
| 4
| true
| -0.243628
| 0.121584
| -0.071406
| false
| -0.058661
| 1.189564
|
['Cr', 'Li', 'Mn', 'O']
|
mp-777154
|
Li32Ti11Cr5O48
| 4
| false
| -0.840439
| 0.006295
| -0.057458
| false
| -0.227445
| 1.259789
|
['Cr', 'Li', 'O', 'Ti']
|
mp-777689
|
Li32Mn5Cr11O48
| 4
| true
| -0.250439
| 0.110883
| -0.578348
| false
| -0.084059
| 1.191638
|
['Cr', 'Li', 'Mn', 'O']
|
mp-778090
|
Li32Mn11Cr5O48
| 4
| true
| -0.241013
| 0.122273
| -0.081833
| false
| -0.041355
| 1.172539
|
['Cr', 'Li', 'Mn', 'O']
|
mp-778376
|
Li32Mn5Cr11O48
| 4
| true
| -0.265455
| 0.106923
| -0.349963
| false
| -0.081531
| 1.189108
|
['Cr', 'Li', 'Mn', 'O']
|
mp-777532
|
Li32Ti5Cr11O48
| 4
| false
| -0.528119
| 0.05679
| -0.354635
| false
| -0.161736
| 1.223723
|
['Cr', 'Li', 'O', 'Ti']
|
mp-781106
|
Li32Mn5Cr11O48
| 4
| true
| -0.247815
| 0.111575
| -0.868213
| false
| -0.088055
| 1.195649
|
['Cr', 'Li', 'Mn', 'O']
|
mp-530670
|
Li34(YSb2)13
| 3
| false
| 1.138757
| -2.189559
| -0.868213
| false
| 0.571694
| 3.50765
|
['Li', 'Sb', 'Y']
|
mp-767765
|
Li34Sb8S7
| 3
| false
| 1.131738
| 1.08578
| -0.868213
| false
| -0.741935
| 1.366045
|
['Li', 'S', 'Sb']
|
mp-767715
|
Li34(Sb3S2)3
| 3
| false
| 1.201752
| 1.1043
| -0.868213
| false
| -0.66911
| 1.419359
|
['Li', 'S', 'Sb']
|
mp-850218
|
Li35(FeO4)8
| 3
| true
| 0.042621
| 0.416844
| -0.823931
| false
| -0.849565
| 1.084812
|
['Fe', 'Li', 'O']
|
mp-757535
|
Li35(RuO4)12
| 3
| false
| 0.055593
| 0.284075
| -0.868213
| false
| 0.254925
| 1.342836
|
['Li', 'O', 'Ru']
|
mp-569841
|
Ba19Li44
| 2
| false
| 2.178516
| 1.558542
| -0.868213
| false
| -0.982401
| 11.010803
|
['Ba', 'Li']
|
mp-1177487
|
Li47(CoO4)8
| 3
| true
| 0.064409
| 0.538152
| -0.307306
| false
| -0.736817
| 1.13252
|
['Co', 'Li', 'O']
|
mp-850945
|
Li47(NiO4)8
| 3
| true
| 0.122604
| 0.589605
| -0.145751
| false
| -0.720825
| 1.107879
|
['Li', 'Ni', 'O']
|
mp-532427
|
Li47Mn5As19
| 3
| true
| 1.514878
| 1.021806
| -0.868213
| false
| -0.434773
| 1.892733
|
['As', 'Li', 'Mn']
|
mp-532007
|
Li47Cu7N18
| 3
| false
| 1.679342
| 0.561452
| -0.868213
| false
| -1.086518
| 1.069187
|
['Cu', 'Li', 'N']
|
mp-1001069
|
Li48P16S61
| 3
| false
| 0.890142
| 0.773741
| 0.686062
| true
| -1.344163
| 6.430479
|
['Li', 'P', 'S']
|
mp-676829
|
Li49Cu8N19
| 3
| false
| 1.686606
| 0.54363
| -0.868213
| false
| -1.028787
| 1.177355
|
['Cu', 'Li', 'N']
|
mp-722623
|
Li66Be24H35
| 3
| false
| 2.11725
| 1.320546
| -0.868213
| false
| -1.966237
| 2.955622
|
['Be', 'H', 'Li']
|
mp-647275
|
Ba39Li80N9
| 3
| false
| 2.097097
| 1.405895
| -0.868213
| false
| -0.814328
| 10.189519
|
['Ba', 'Li', 'N']
|
mp-1185524
|
Li95Mn16O64
| 3
| true
| -0.079223
| 0.449108
| -0.868213
| false
| -0.839734
| 3.685992
|
['Li', 'Mn', 'O']
|
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