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-1100628
Li9Mn2Co5O16
4
true
0.218226
0.233168
-0.868213
false
0.261743
-0.401064
['Co', 'Li', 'Mn', 'O']
mp-1100626
Li9Mn2Co5O16
4
true
0.186418
0.224779
-0.868213
false
0.264109
-0.401779
['Co', 'Li', 'Mn', 'O']
mp-1100638
Li9Mn2Co5O16
4
true
0.296614
0.253841
-0.868213
false
0.246163
-0.396331
['Co', 'Li', 'Mn', 'O']
mp-1100632
Li9Mn2Co5O16
4
true
0.207615
0.23037
-0.868213
false
0.253779
-0.398651
['Co', 'Li', 'Mn', 'O']
mp-1100645
Li9Mn2Co5O16
4
true
0.190179
0.225771
-0.868213
false
0.252908
-0.398387
['Co', 'Li', 'Mn', 'O']
mp-1100650
Li9Mn2Co5O16
4
true
0.212199
0.231579
-0.868213
false
0.258914
-0.400209
['Co', 'Li', 'Mn', 'O']
mp-1100654
Li9Mn2Co5O16
4
true
0.160783
0.218019
-0.512602
false
0.255915
-0.3993
['Co', 'Li', 'Mn', 'O']
mp-1100643
Li9Mn2Co5O16
4
true
0.190994
0.225986
-0.868213
false
0.274233
-0.404821
['Co', 'Li', 'Mn', 'O']
mp-1100653
Li9Mn2Co5O16
4
true
0.181199
0.223403
-0.69359
false
0.255019
-0.399028
['Co', 'Li', 'Mn', 'O']
mp-1100625
Li9Mn2Co5O16
4
true
0.198686
0.228015
-0.868213
false
0.260286
-0.400624
['Co', 'Li', 'Mn', 'O']
mp-1100627
Li9Mn2Co5O16
4
true
0.203828
0.229371
-0.868213
false
0.277862
-0.405906
['Co', 'Li', 'Mn', 'O']
mp-1100636
Li9Mn2Co5O16
4
true
0.186368
0.224766
-0.868213
false
0.26396
-0.401734
['Co', 'Li', 'Mn', 'O']
mp-1100637
Li9Mn2Co5O16
4
true
0.21387
0.23202
-0.868213
false
0.255628
-0.399213
['Co', 'Li', 'Mn', 'O']
mp-1100639
Li9Mn2Co5O16
4
true
0.306466
0.25644
-0.868213
false
0.21148
-0.385599
['Co', 'Li', 'Mn', 'O']
mp-1100644
Li9Mn2Co5O16
4
true
0.18244
0.22373
-0.838759
false
0.262993
-0.401442
['Co', 'Li', 'Mn', 'O']
mp-1100647
Li9Mn2Co5O16
4
true
0.192446
0.226369
-0.824134
false
0.261326
-0.400938
['Co', 'Li', 'Mn', 'O']
mp-1100651
Li9Mn2Co5O16
4
true
0.187452
0.225052
-0.868213
false
0.283261
-0.407515
['Co', 'Li', 'Mn', 'O']
mp-1100633
Li9Mn2Co5O16
4
true
0.190695
0.225908
-0.868213
false
0.265078
-0.402071
['Co', 'Li', 'Mn', 'O']
mp-1100640
Li9Mn2Co5O16
4
true
0.31354
0.258305
-0.868213
false
0.268321
-0.403047
['Co', 'Li', 'Mn', 'O']
mp-1100641
Li9Mn2Co5O16
4
true
0.308573
0.256995
-0.868213
false
0.281372
-0.406953
['Co', 'Li', 'Mn', 'O']
mp-1100646
Li9Mn2Co5O16
4
true
0.193185
0.226564
-0.868213
false
0.263741
-0.401667
['Co', 'Li', 'Mn', 'O']
mp-1100635
Li9Mn2Co5O16
4
true
0.352031
0.268456
-0.868213
false
0.270129
-0.40359
['Co', 'Li', 'Mn', 'O']
mp-1100652
Li9Mn2Co5O16
4
true
0.208345
0.230562
-0.809779
false
0.277999
-0.405947
['Co', 'Li', 'Mn', 'O']
mp-1100656
Li9Mn2Co5O16
4
true
0.196928
0.227551
-0.868213
false
0.603074
-0.492872
['Co', 'Li', 'Mn', 'O']
mp-1100659
Li9Mn2Co5O16
4
true
0.190664
0.225899
-0.848442
false
0.256236
-0.399397
['Co', 'Li', 'Mn', 'O']
mp-1100657
Li9Mn2Co5O16
4
true
0.31943
0.259859
-0.868213
false
0.259144
-0.400279
['Co', 'Li', 'Mn', 'O']
mp-1100660
Li9Mn2Co5O16
4
true
0.199872
0.228328
-0.858463
false
0.282613
-0.407322
['Co', 'Li', 'Mn', 'O']
mp-1100662
Li9Mn2Co5O16
4
true
0.176631
0.222199
-0.868213
false
0.271021
-0.403858
['Co', 'Li', 'Mn', 'O']
mp-1100674
Li9Mn2Co5O16
4
true
0.190902
0.225962
-0.868213
false
0.271701
-0.404062
['Co', 'Li', 'Mn', 'O']
mp-1100681
Li9Mn2Co5O16
4
true
0.176003
0.222033
-0.566228
false
0.285454
-0.408167
['Co', 'Li', 'Mn', 'O']
mp-1100668
Li9Mn2Co5O16
4
true
0.244081
0.239987
-0.868213
false
0.29522
-0.411057
['Co', 'Li', 'Mn', 'O']
mp-1100665
Li9Mn2Co5O16
4
true
0.187208
0.224988
-0.868213
false
0.271336
-0.403953
['Co', 'Li', 'Mn', 'O']
mp-1100669
Li9Mn2Co5O16
4
true
0.195688
0.227224
-0.856296
false
0.275873
-0.405311
['Co', 'Li', 'Mn', 'O']
mp-1100670
Li9Mn2Co5O16
4
true
0.173133
0.221276
-0.868213
false
0.282823
-0.407385
['Co', 'Li', 'Mn', 'O']
mp-1100672
Li9Mn2Co5O16
4
true
0.182123
0.223647
-0.868213
false
0.291418
-0.409934
['Co', 'Li', 'Mn', 'O']
mp-1100677
Li9Mn2Co5O16
4
true
0.167248
0.219724
-0.305343
false
0.271686
-0.404057
['Co', 'Li', 'Mn', 'O']
mp-1100673
Li9Mn2Co5O16
4
true
0.163163
0.218647
-0.620802
false
0.277858
-0.405904
['Co', 'Li', 'Mn', 'O']
mp-1100675
Li9Mn2Co5O16
4
true
0.182041
0.223625
-0.83016
false
0.28304
-0.407449
['Co', 'Li', 'Mn', 'O']
mp-1100678
Li9Mn2Co5O16
4
true
0.160646
0.217983
-0.232826
false
0.279221
-0.406311
['Co', 'Li', 'Mn', 'O']
mp-1100682
Li9Mn2Co5O16
4
true
0.175697
0.221952
-0.243185
false
0.272928
-0.40443
['Co', 'Li', 'Mn', 'O']
mp-1100671
Li9Mn2Co5O16
4
true
0.166184
0.219443
-0.757711
false
0.274057
-0.404768
['Co', 'Li', 'Mn', 'O']
mp-1100655
Li9Mn2Co5O16
4
true
0.195989
0.227304
-0.868213
false
0.27929
-0.406332
['Co', 'Li', 'Mn', 'O']
mp-1100661
Li9Mn2Co5O16
4
true
0.305198
0.256105
-0.868213
false
0.260435
-0.400669
['Co', 'Li', 'Mn', 'O']
mp-1100667
Li9Mn2Co5O16
4
true
0.161622
0.21824
-0.541311
false
0.275374
-0.405162
['Co', 'Li', 'Mn', 'O']
mp-1100680
Li9Mn2Co5O16
4
true
0.153253
0.216033
-0.280561
false
0.304082
-0.413663
['Co', 'Li', 'Mn', 'O']
mp-1100658
Li9Mn2Co5O16
4
true
0.230837
0.236494
-0.868213
false
0.224759
-0.38974
['Co', 'Li', 'Mn', 'O']
mp-1100679
Li9Mn2Co5O16
4
true
0.305005
0.256054
-0.053395
false
0.624127
-0.49788
['Co', 'Li', 'Mn', 'O']
mp-1100663
Li9Mn2Co5O16
4
true
0.192539
0.226394
-0.801248
false
0.277645
-0.405841
['Co', 'Li', 'Mn', 'O']
mp-1100666
Li9Mn2Co5O16
4
true
0.186986
0.224929
-0.868213
false
0.258475
-0.400076
['Co', 'Li', 'Mn', 'O']
mp-1100683
Li9Mn2Co5O16
4
true
0.148791
0.214856
-0.415642
false
0.289014
-0.409223
['Co', 'Li', 'Mn', 'O']
mp-1100664
Li9Mn2Co5O16
4
true
0.195172
0.227088
-0.868213
false
0.253067
-0.398435
['Co', 'Li', 'Mn', 'O']
mp-1100676
Li9Mn2Co5O16
4
true
0.180534
0.223228
-0.861171
false
0.27992
-0.40652
['Co', 'Li', 'Mn', 'O']
mp-1100757
Li9Mn2Co5O16
4
true
0.195669
0.227219
-0.868213
false
0.262672
-0.401345
['Co', 'Li', 'Mn', 'O']
mp-1100684
Li9Mn2Co5O16
4
true
0.161173
0.218122
-0.5969
false
0.281104
-0.406873
['Co', 'Li', 'Mn', 'O']
mp-1100756
Li9Mn2Co5O16
4
true
0.163671
0.218781
-0.24156
false
0.296467
-0.411425
['Co', 'Li', 'Mn', 'O']
mp-1100755
Li9Mn2Co5O16
4
true
0.211484
0.23139
-0.868213
false
0.271348
-0.403956
['Co', 'Li', 'Mn', 'O']
mp-1100760
Li9Mn2Co5O16
4
true
0.170918
0.220692
-0.868213
false
0.273793
-0.404689
['Co', 'Li', 'Mn', 'O']
mp-1100685
Li9Mn2Co5O16
4
true
0.173842
0.221463
-0.815738
false
0.267325
-0.402747
['Co', 'Li', 'Mn', 'O']
mp-1100686
Li9Mn2Co5O16
4
true
0.163757
0.218803
-0.777211
false
0.270234
-0.403622
['Co', 'Li', 'Mn', 'O']
mp-1100688
Li9Mn2Co5O16
4
true
0.155264
0.216563
-0.003831
false
0.279992
-0.406541
['Co', 'Li', 'Mn', 'O']
mp-1100758
Li9Mn2Co5O16
4
true
0.180836
0.223307
-0.718845
false
0.302636
-0.413239
['Co', 'Li', 'Mn', 'O']
mp-1100759
Li9Mn2Co5O16
4
true
0.211243
0.231327
-0.868213
false
0.23849
-0.39398
['Co', 'Li', 'Mn', 'O']
mp-1100692
Li9Mn2Co5O16
4
true
0.194182
0.226827
-0.868213
false
0.269457
-0.403388
['Co', 'Li', 'Mn', 'O']
mp-1176281
Li9Mn2Co5O16
4
true
0.186168
0.224714
-0.868213
false
0.237355
-0.393631
['Co', 'Li', 'Mn', 'O']
mp-1223174
Li9La12(SnO6)8
4
false
-0.49624
0.104135
-0.866859
false
0.870224
2.034144
['La', 'Li', 'O', 'Sn']
mp-1101531
Li9Co3P8O29
4
true
-0.545791
0.060163
0.19862
true
-0.671353
2.082209
['Co', 'Li', 'O', 'P']
mp-1176987
Li9Cr4P4(CO7)4
5
false
-0.482845
-0.086173
-0.606854
false
-0.705189
0.34528
['C', 'Cr', 'Li', 'O', 'P']
mp-690979
Li9Nd6Sb3TeO24
5
false
-0.827363
0.105508
1.340341
true
1.26726
1.828225
['Li', 'Nd', 'O', 'Sb', 'Te']
mp-745203
Li9Mg12Fe(PO4)12
5
true
-0.033353
0.299649
-0.868213
false
-0.947712
1.94574
['Fe', 'Li', 'Mg', 'O', 'P']
mp-768514
Li9TiMn3(PO4)6
5
true
-0.757385
-0.036193
-0.619312
false
-0.654278
0.223303
['Li', 'Mn', 'O', 'P', 'Ti']
mp-850091
Li9Nb10Cr6(PO4)24
5
false
-0.856331
-0.250054
-0.847358
false
-0.416837
4.25537
['Cr', 'Li', 'Nb', 'O', 'P']
mp-1203004
Li9Mg3P4O16F3
5
false
-1.062615
0.192075
2.900235
true
-0.732305
0.828329
['F', 'Li', 'Mg', 'O', 'P']
mp-744651
Li9FeCo12(PO4)12
5
true
0.461313
0.196447
-0.849254
false
-0.364918
1.702071
['Co', 'Fe', 'Li', 'O', 'P']
mp-780127
Li9Mn2P4HO18
5
true
-0.59989
0.103686
-0.139454
false
-0.65523
0.787312
['H', 'Li', 'Mn', 'O', 'P']
mp-849392
Li9V2P4HO18
5
false
-0.668615
0.086895
-0.59277
false
-0.700396
0.809537
['H', 'Li', 'O', 'P', 'V']
mp-1101479
NaLi9Fe10(SiO3)20
5
true
-0.855114
-0.162472
0.977146
true
-0.296933
1.90235
['Fe', 'Li', 'Na', 'O', 'Si']
mp-776454
Li9Cr4C8(SO16)2
5
false
-0.117385
-0.054955
-0.85826
false
-0.753164
0.484047
['C', 'Cr', 'Li', 'O', 'S']
mp-504760
Li10Pb3
2
false
1.928313
1.372664
-0.868213
false
0.459405
1.748945
['Li', 'Pb']
mp-685404
Li10Fe21O32
3
true
0.32401
-0.012109
-0.868213
false
0.741648
0.492952
['Fe', 'Li', 'O']
mp-530628
Li10Mn21O48
3
true
0.091039
-0.086279
-0.868213
false
0.076787
1.231989
['Li', 'Mn', 'O']
mp-1185179
Li10Co4O9
3
true
0.219222
0.43403
0.085613
true
-0.137873
-0.022864
['Co', 'Li', 'O']
mp-1185196
Li10Ni4O9
3
true
0.338053
0.533656
-0.868213
false
-0.301961
0.064696
['Li', 'Ni', 'O']
mp-3297
Li10Zn4O9
3
false
-0.019754
0.667393
0.848024
true
-0.065274
0.00904
['Li', 'O', 'Zn']
mp-752856
Li10Fe4S9
3
true
0.968592
0.656133
-0.868213
false
-0.874544
1.043913
['Fe', 'Li', 'S']
mp-766521
Li10Cu4S9
3
false
1.023668
0.891211
-0.868213
false
-0.722111
0.959851
['Cu', 'Li', 'S']
mp-777562
Li10Mn3F16
3
true
-1.186712
0.453423
1.423556
true
-0.5729
-0.346418
['F', 'Li', 'Mn']
mp-28989
Li10BrN3
3
false
1.44209
0.9711
0.057175
true
-1.334293
-0.715674
['Br', 'Li', 'N']
mp-530277
Li10Co11O21
3
true
0.30469
0.227341
-0.506576
false
0.836408
0.782598
['Co', 'Li', 'O']
mp-772260
Li10Ti4O13
3
false
-0.915866
0.061458
1.818168
true
-0.896231
0.627047
['Li', 'O', 'Ti']
mp-773128
Li10Co4O9
3
true
0.246861
0.441319
0.097259
true
-0.442521
0.156287
['Co', 'Li', 'O']
mp-530738
Li10Mg7Cl24
3
false
-0.236118
0.946663
2.218264
true
-1.12092
3.801696
['Cl', 'Li', 'Mg']
mp-531323
Li10Mn23O48
3
true
0.035836
-0.125759
-0.868213
false
0.15096
1.295624
['Li', 'Mn', 'O']
mp-1147692
Li10Zn(PS4)4
4
false
0.938014
0.773196
0.952906
true
-1.166418
2.449725
['Li', 'P', 'S', 'Zn']
mp-1147634
Li10Zn7(PS4)8
4
false
1.102363
0.792793
0.922369
true
-0.904926
5.965751
['Li', 'P', 'S', 'Zn']
mp-1147686
Li10Zn(PS4)4
4
false
0.938774
0.773397
0.78959
true
-1.160128
2.432528
['Li', 'P', 'S', 'Zn']
mp-1147627
Li10Zn7(PS4)8
4
false
1.100182
0.792218
0.938348
true
-0.902654
2.358707
['Li', 'P', 'S', 'Zn']
mp-1147697
Li10Zn(PS4)4
4
false
0.938805
0.773405
0.84105
true
-1.167193
0.606853
['Li', 'P', 'S', 'Zn']
mp-1147693
Li10Zn(PS4)4
4
false
0.937576
0.773081
1.002469
true
-1.162066
0.59983
['Li', 'P', 'S', 'Zn']
mp-1147696
Li10Zn(PS4)4
4
false
0.937956
0.773181
0.839289
true
-1.159278
0.596033
['Li', 'P', 'S', 'Zn']
mp-1147694
Li10Zn(PS4)4
4
false
0.936425
0.772777
0.959338
true
-1.14052
0.570895
['Li', 'P', 'S', 'Zn']