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-1094587
|
LiMg2
| 2 | false | 2.154167 | 1.069562 | -0.868213 | false | -1.552614 | -0.865516 |
['Li', 'Mg']
|
mp-1094599
|
LiMg5
| 2 | false | 2.15461 | 0.983476 | -0.868213 | false | -1.424726 | -0.858092 |
['Li', 'Mg']
|
mp-1094575
|
LiMg
| 2 | false | 2.141242 | 1.152356 | -0.868213 | false | -1.696857 | -0.867923 |
['Li', 'Mg']
|
mp-1094594
|
LiMg
| 2 | false | 2.140477 | 1.152154 | -0.868213 | false | -1.679453 | -0.875689 |
['Li', 'Mg']
|
mp-1094573
|
LiMg
| 2 | false | 2.147621 | 1.154038 | -0.868213 | false | -1.687273 | -0.87224 |
['Li', 'Mg']
|
mp-976239
|
LiMg
| 2 | false | 2.116816 | 1.145914 | -0.868213 | false | -1.645056 | -0.890118 |
['Li', 'Mg']
|
mp-1001790
|
LiO3
| 2 | false | 1.484253 | 0.714998 | -0.814722 | false | -1.085426 | -1.114352 |
['Li', 'O']
|
mp-1094596
|
LiMg3
| 2 | false | 2.150723 | 1.025552 | -0.868213 | false | -1.485791 | -0.987804 |
['Li', 'Mg']
|
mp-1001787
|
LiRh3
| 2 | false | 2.010055 | -3.356563 | -0.868213 | false | 4.093509 | -1.084778 |
['Li', 'Rh']
|
mp-30738
|
LiIr3
| 2 | false | 1.929513 | -9.519458 | -0.868213 | false | 9.338608 | -1.080127 |
['Ir', 'Li']
|
mp-1094589
|
LiMg
| 2 | false | 2.141087 | 1.152315 | -0.868213 | false | -1.677315 | -0.876621 |
['Li', 'Mg']
|
mp-1235185
|
LiO8
| 2 | false | 1.707755 | 0.651473 | -0.868213 | false | -1.017726 | -0.947892 |
['Li', 'O']
|
mp-1185370
|
LiMg
| 2 | false | 2.11641 | 1.145807 | -0.868213 | false | -1.652484 | -1.004117 |
['Li', 'Mg']
|
mp-1080576
|
LiB
| 2 | false | 2.606115 | 0.814049 | -0.868213 | false | -2.250817 | -0.356217 |
['B', 'Li']
|
mp-1094675
|
LiMg
| 2 | false | 2.143812 | 1.153033 | -0.868213 | false | -1.668833 | -0.999563 |
['Li', 'Mg']
|
mp-1018789
|
LiO2
| 2 | false | 1.024331 | 0.667184 | -0.868213 | false | -1.013305 | -1.07112 |
['Li', 'O']
|
mp-16726
|
LiB
| 2 | false | 2.002314 | 0.65481 | -0.868213 | false | -1.781148 | -0.925223 |
['B', 'Li']
|
mp-1094574
|
LiMg2
| 2 | false | 2.152632 | 1.069157 | -0.868213 | false | -1.560601 | -0.862378 |
['Li', 'Mg']
|
mp-1094579
|
LiMg2
| 2 | false | 2.148215 | 1.067992 | -0.868213 | false | -1.542753 | -0.869318 |
['Li', 'Mg']
|
mp-1094593
|
LiMg2
| 2 | false | 2.140634 | 1.065993 | -0.868213 | false | -1.53945 | -0.870575 |
['Li', 'Mg']
|
mp-1211097
|
LiFe
| 2 | true | 2.479299 | 0.686903 | -0.868213 | false | 0.331699 | -1.096343 |
['Fe', 'Li']
|
mp-1232339
|
LiC12
| 2 | false | 2.167508 | -0.403917 | -0.868213 | false | -1.028409 | -0.583539 |
['C', 'Li']
|
mp-973374
|
LiMg2
| 2 | false | 2.141813 | 1.066304 | -0.868213 | false | -1.544994 | -0.868461 |
['Li', 'Mg']
|
mp-1191883
|
LiTl
| 2 | false | 1.990351 | -5.997505 | -0.868213 | false | 2.588496 | 0.357761 |
['Li', 'Tl']
|
mp-1237690
|
LiTl
| 2 | false | 1.977482 | -6.000899 | -0.868213 | false | 2.683466 | 0.328572 |
['Li', 'Tl']
|
mp-1191737
|
LiAl
| 2 | false | 2.103954 | 0.770727 | -0.868213 | false | -1.53468 | 0.102028 |
['Al', 'Li']
|
mp-1222270
|
LiMg
| 2 | false | 2.135329 | 1.150796 | -0.868213 | false | -1.673739 | -1.118156 |
['Li', 'Mg']
|
mp-2362485
|
LiMg
| 2 | false | 2.121739 | 1.147212 | -0.868213 | false | -1.659208 | -0.884323 |
['Li', 'Mg']
|
mp-1378
|
LiC
| 2 | false | 2.186391 | 0.499596 | 1.347721 | true | -1.593998 | -1.105273 |
['C', 'Li']
|
mp-2034417
|
LiMg2
| 2 | false | 2.115506 | 1.059366 | -0.868213 | false | -1.51242 | -0.880543 |
['Li', 'Mg']
|
mp-1185380
|
LiMg
| 2 | false | 2.114264 | 1.145241 | -0.868213 | false | -1.646919 | -1.005627 |
['Li', 'Mg']
|
mp-1205309
|
LiB
| 2 | false | 2.002493 | 0.654857 | -0.609968 | false | -1.783256 | -1.081232 |
['B', 'Li']
|
mp-1094604
|
LiMg2
| 2 | false | 2.144204 | 1.066934 | -0.868213 | false | -1.54876 | -0.867011 |
['Li', 'Mg']
|
mp-1094609
|
LiMg5
| 2 | false | 2.154545 | 0.983459 | -0.868213 | false | -1.424528 | -0.858162 |
['Li', 'Mg']
|
mp-1100190
|
LiMg
| 2 | false | 2.148074 | 1.154158 | -0.868213 | false | -1.680362 | -0.875292 |
['Li', 'Mg']
|
mp-1235059
|
LiO8
| 2 | false | 1.701856 | 0.649918 | -0.868213 | false | -1.050138 | -0.941444 |
['Li', 'O']
|
mp-1235698
|
LiO8
| 2 | false | 1.776365 | 0.669568 | -0.868213 | false | -1.295007 | -0.881603 |
['Li', 'O']
|
mp-2766401
|
LiO8
| 2 | false | 1.865541 | 0.414343 | -0.794274 | false | -1.092358 | -0.932602 |
['Li', 'O']
|
mp-976244
|
LiMg
| 2 | false | 2.120954 | 1.147005 | -0.868213 | false | -1.652062 | -0.887273 |
['Li', 'Mg']
|
mp-9918
|
LiGe
| 2 | false | 1.862777 | 1.082407 | -0.868213 | false | 0.088587 | -0.45191 |
['Ge', 'Li']
|
mp-570363
|
LiSi
| 2 | false | 2.219634 | 1.060129 | 0.068821 | true | -1.713438 | -0.108364 |
['Li', 'Si']
|
mp-795
|
LiSi
| 2 | false | 1.993399 | 1.000464 | -0.868213 | false | -1.254709 | -0.521521 |
['Li', 'Si']
|
mp-1097058
|
LiMn2O4
| 3 | true | -0.081673 | -0.141799 | -0.632651 | false | 0.183921 | 2.638965 |
['Li', 'Mn', 'O']
|
mp-1097867
|
LiMn2O4
| 3 | true | -0.098024 | -0.146111 | -0.60638 | false | 0.172576 | 0.05969 |
['Li', 'Mn', 'O']
|
mp-1176651
|
LiMn6O12
| 3 | true | 0.115088 | -0.206239 | -0.614099 | false | 0.162726 | 0.665782 |
['Li', 'Mn', 'O']
|
mp-1176549
|
LiV3O6
| 3 | false | -0.560739 | -0.316601 | -0.088807 | false | 0.237466 | -0.640677 |
['Li', 'O', 'V']
|
mp-1178108
|
Li(FeO2)2
| 3 | true | 0.430286 | 0.050585 | -0.868213 | false | 0.239849 | -0.811889 |
['Fe', 'Li', 'O']
|
mp-1178332
|
Li(CoO2)2
| 3 | true | 0.565815 | 0.197131 | -0.806191 | false | 0.494024 | 0.375364 |
['Co', 'Li', 'O']
|
mp-1206066
|
LiC2O5
| 3 | false | 0.50563 | 0.036177 | -0.867062 | false | -1.649719 | -0.823943 |
['C', 'Li', 'O']
|
mp-1235366
|
Sr2LiO12
| 3 | false | 1.064327 | 0.568538 | -0.83903 | false | -0.469551 | -0.649603 |
['Li', 'O', 'Sr']
|
mp-1235496
|
Sr2LiO12
| 3 | false | 1.039904 | 0.562097 | -0.854536 | false | -0.589188 | -0.612929 |
['Li', 'O', 'Sr']
|
mp-1235106
|
LiNi9O13
| 3 | true | 1.202101 | 0.364 | -0.868213 | false | 1.073277 | -0.572628 |
['Li', 'Ni', 'O']
|
mp-1235283
|
Li(SiO2)6
| 3 | false | -1.161594 | -0.200559 | -0.868213 | false | -0.944768 | -0.484609 |
['Li', 'O', 'Si']
|
mp-1235382
|
Li(SiO2)6
| 3 | false | -1.1423 | -0.195471 | -0.868213 | false | -0.922431 | -0.495217 |
['Li', 'O', 'Si']
|
mp-1235094
|
LiTi8O16
| 3 | false | -1.527722 | -0.538187 | -0.868213 | false | 0.096496 | -0.442946 |
['Li', 'O', 'Ti']
|
mp-1235669
|
Sr2LiO12
| 3 | false | 1.121814 | 0.583699 | -0.868213 | false | -0.69138 | -0.577779 |
['Li', 'O', 'Sr']
|
mp-1233014
|
Li(Fe2O3)4
| 3 | true | 0.510551 | -0.10955 | -0.102078 | false | 0.808205 | -0.613719 |
['Fe', 'Li', 'O']
|
mp-1235333
|
LiTi8O16
| 3 | false | -1.562308 | -0.547309 | -0.868213 | false | 0.159517 | -0.461725 |
['Li', 'O', 'Ti']
|
mp-1236378
|
LiNi9O13
| 3 | true | 1.401209 | 0.41651 | -0.868213 | false | 1.160738 | -0.588489 |
['Li', 'Ni', 'O']
|
mp-1236154
|
LiV4O10
| 3 | false | -0.399939 | -0.263584 | -0.038973 | false | -1.032205 | -0.432929 |
['Li', 'O', 'V']
|
mp-1236363
|
Li(Fe2O3)4
| 3 | true | 0.491687 | -0.114525 | 0.014789 | true | 0.812657 | -0.614556 |
['Fe', 'Li', 'O']
|
mp-1272833
|
LiCr2O3
| 3 | false | -0.23506 | -0.266971 | 0.253871 | true | 0.475939 | -0.896538 |
['Cr', 'Li', 'O']
|
mp-1282759
|
LiFe2O3
| 3 | true | 0.275229 | -0.017976 | -0.846817 | false | 0.553414 | -0.889053 |
['Fe', 'Li', 'O']
|
mp-1311873
|
LiMnO2
| 3 | true | -0.149558 | -0.021559 | -0.324504 | false | 0.259881 | -0.368037 |
['Li', 'Mn', 'O']
|
mp-1393169
|
LiFeF4
| 3 | true | -0.481314 | 0.539714 | 1.217718 | true | -0.473835 | -0.800651 |
['F', 'Fe', 'Li']
|
mp-1391065
|
LiFe2F5
| 3 | true | 1.647743 | 0.942626 | -0.103365 | false | -0.139134 | -0.659816 |
['F', 'Fe', 'Li']
|
mp-1443175
|
LiV3O6
| 3 | false | 2.89726 | 0.595372 | -0.868213 | false | 0.241929 | -0.939898 |
['Li', 'O', 'V']
|
mp-1639950
|
LiMn2O3
| 3 | true | -0.110435 | -0.186614 | -0.497029 | false | 0.460345 | -0.525912 |
['Li', 'Mn', 'O']
|
mp-2348641
|
LiNiO2
| 3 | true | 0.523654 | 0.401297 | -0.856025 | false | 0.589011 | -0.934855 |
['Li', 'Ni', 'O']
|
mp-2766181
|
LiMn2F9
| 3 | true | -0.751374 | -0.107425 | 0.68938 | true | -0.43571 | -0.347543 |
['F', 'Li', 'Mn']
|
mp-674361
|
LiNbO3
| 3 | false | -1.007208 | -0.285206 | 1.137415 | true | 0.421325 | 0.380378 |
['Li', 'Nb', 'O']
|
mp-675069
|
LiNbO3
| 3 | false | -1.010725 | -0.286134 | 1.176077 | true | 0.44233 | 1.011663 |
['Li', 'Nb', 'O']
|
mp-676694
|
LiNbO3
| 3 | false | -1.009453 | -0.285798 | 1.149128 | true | 0.430136 | 0.698261 |
['Li', 'Nb', 'O']
|
mp-685266
|
LiMg7N5
| 3 | false | 1.2507 | 0.145222 | -0.816415 | false | -0.884726 | 1.690016 |
['Li', 'Mg', 'N']
|
mp-685413
|
LiNbO3
| 3 | false | -0.891556 | -0.254705 | -0.868213 | false | 0.362814 | 3.055757 |
['Li', 'Nb', 'O']
|
mp-686057
|
LiNbO3
| 3 | false | -1.00633 | -0.284974 | 1.188874 | true | 0.437991 | 0.04935 |
['Li', 'Nb', 'O']
|
mp-691187
|
LiPrS2
| 3 | false | -0.018357 | 0.44723 | 0.513809 | true | 0.030128 | -0.702522 |
['Li', 'Pr', 'S']
|
mp-706252
|
LiFe5O8
| 3 | true | 0.327603 | -0.112473 | -0.166199 | false | 0.60277 | 2.177556 |
['Fe', 'Li', 'O']
|
mp-753244
|
LiMn2F9
| 3 | true | -0.644139 | 0.46319 | 0.674687 | true | -0.684066 | -0.226348 |
['F', 'Li', 'Mn']
|
mp-753845
|
LiCuO2
| 3 | false | 0.617024 | 0.547851 | -0.750466 | false | -0.026478 | -0.708419 |
['Cu', 'Li', 'O']
|
mp-756006
|
LiSbS
| 3 | false | 1.123124 | 0.850746 | -0.606921 | false | -0.037386 | -0.82083 |
['Li', 'S', 'Sb']
|
mp-758700
|
LiMn2O4
| 3 | true | -0.038565 | -0.13043 | -0.500279 | false | 0.117559 | 0.086874 |
['Li', 'Mn', 'O']
|
mp-759500
|
LiCoF3
| 3 | true | -0.669945 | 0.504169 | 1.050002 | true | -0.125272 | -0.742092 |
['Co', 'F', 'Li']
|
mp-759977
|
LiVF4
| 3 | false | -1.274462 | 0.300852 | -0.126995 | false | -0.574591 | 0.537936 |
['F', 'Li', 'V']
|
mp-759816
|
LiVF4
| 3 | false | -1.290382 | 0.296654 | 0.472303 | true | -0.679846 | 0.17056 |
['F', 'Li', 'V']
|
mp-759990
|
LiMnF4
| 3 | true | -1.054669 | 0.355041 | 0.497694 | true | -0.359624 | 0.408031 |
['F', 'Li', 'Mn']
|
mp-760014
|
LiSbF4
| 3 | false | -0.884196 | 0.643386 | 1.647404 | true | -0.233587 | 3.379159 |
['F', 'Li', 'Sb']
|
mp-760180
|
LiMn2F7
| 3 | true | -0.871908 | 0.333044 | -0.313739 | false | -0.31522 | 1.684129 |
['F', 'Li', 'Mn']
|
mp-760354
|
LiFeF3
| 3 | true | -0.830013 | 0.384392 | 1.314408 | true | -0.300032 | -0.716303 |
['F', 'Fe', 'Li']
|
mp-760797
|
LiV24O58
| 3 | false | -0.361518 | -0.328601 | -0.813639 | false | -0.245804 | 1.819951 |
['Li', 'O', 'V']
|
mp-760773
|
LiCu2F7
| 3 | false | 0.063039 | 0.221789 | -0.868213 | false | 0.072786 | -0.574587 |
['Cu', 'F', 'Li']
|
mp-760832
|
LiTi2O4
| 3 | false | -1.288779 | -0.355153 | -0.868213 | false | -0.200758 | 0.846574 |
['Li', 'O', 'Ti']
|
mp-762514
|
LiMn3O6
| 3 | true | 0.030728 | -0.167413 | -0.568327 | false | 0.125494 | 0.065979 |
['Li', 'Mn', 'O']
|
mp-761262
|
LiCuF3
| 3 | false | -0.397323 | 0.12183 | -0.590806 | false | -0.008926 | -0.583842 |
['Cu', 'F', 'Li']
|
mp-762390
|
LiV5O10
| 3 | false | -0.489813 | -0.345962 | 0.014247 | true | -0.038297 | -0.690694 |
['Li', 'O', 'V']
|
mp-763655
|
LiMn3O6
| 3 | true | -0.004404 | -0.176678 | -0.659125 | false | 0.190687 | 0.034488 |
['Li', 'Mn', 'O']
|
mp-773043
|
Li(FeO2)2
| 3 | true | 0.388129 | 0.039467 | -0.868213 | false | 0.309668 | 0.424657 |
['Fe', 'Li', 'O']
|
mp-774032
|
LiCr2O4
| 3 | false | -0.312877 | -0.24348 | -0.439475 | false | 0.130369 | -0.387693 |
['Cr', 'Li', 'O']
|
mp-776764
|
LiFe2F5
| 3 | true | -0.791418 | 0.29935 | 1.311564 | true | -0.139135 | -0.659816 |
['F', 'Fe', 'Li']
|
mp-777167
|
LiTiO2
| 3 | false | -1.037163 | -0.163776 | -0.868213 | false | -0.071331 | 0.589627 |
['Li', 'O', 'Ti']
|
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