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-776933
|
LiFe2F5
| 3 | true | -0.75948 | 0.307773 | 1.360247 | true | -0.436821 | 0.084673 |
['F', 'Fe', 'Li']
|
mp-777622
|
LiFeF3
| 3 | true | -0.874367 | 0.372694 | 1.469531 | true | -0.289386 | -0.545691 |
['F', 'Fe', 'Li']
|
mp-779788
|
LiMnO2
| 3 | true | -0.156945 | -0.023507 | -0.868213 | false | 0.253414 | 0.070075 |
['Li', 'Mn', 'O']
|
mp-780233
|
LiTi2O4
| 3 | false | -1.291624 | -0.355904 | -0.868213 | false | -0.218333 | 0.395742 |
['Li', 'O', 'Ti']
|
mp-804341
|
LiCr2O4
| 3 | false | -0.027889 | -0.168321 | -0.510503 | false | 0.130369 | -0.387693 |
['Cr', 'Li', 'O']
|
mp-867613
|
LiTi4O8
| 3 | false | -1.495211 | -0.48653 | -0.868213 | false | 0.084346 | -0.026877 |
['Li', 'O', 'Ti']
|
mp-880027
|
LiMn3O6
| 3 | true | 1.00676 | 0.089994 | -0.868213 | false | 0.190687 | 0.034488 |
['Li', 'Mn', 'O']
|
mp-888867
|
LiTiO2
| 3 | false | 0.89084 | 0.344693 | -0.868213 | false | -0.071331 | 0.589627 |
['Li', 'O', 'Ti']
|
mp-997515
|
Li(Fe2O3)4
| 3 | true | 0.345295 | -0.153133 | -0.275483 | false | 0.632225 | 0.080673 |
['Fe', 'Li', 'O']
|
mp-997539
|
Li(CoO2)3
| 3 | true | 0.777068 | 0.205996 | -0.664948 | false | 0.407571 | -0.622781 |
['Co', 'Li', 'O']
|
mp-1045561
|
LiMn2O4
| 3 | true | -0.022861 | -0.126289 | -0.858327 | false | 0.136545 | -1.018897 |
['Li', 'Mn', 'O']
|
mp-1045516
|
Li(NiO2)2
| 3 | true | 0.870735 | 0.389734 | -0.818717 | false | 0.548943 | -1.040585 |
['Li', 'Ni', 'O']
|
mp-1079063
|
Na5LiN2
| 3 | false | 2.314242 | 1.231709 | -0.868213 | false | -1.399458 | -0.80477 |
['Li', 'N', 'Na']
|
mp-1176774
|
LiCr2O4
| 3 | false | -0.250115 | -0.226928 | -0.453898 | false | 0.10165 | -1.023196 |
['Cr', 'Li', 'O']
|
mp-1185486
|
LiTi2O4
| 3 | false | -1.355286 | -0.372693 | -0.868213 | false | 0.079278 | -0.411848 |
['Li', 'O', 'Ti']
|
mp-1222722
|
Li(ZrS2)2
| 3 | false | 0.160101 | 0.107121 | -0.868213 | false | -0.023503 | -0.828173 |
['Li', 'S', 'Zr']
|
mp-1278550
|
LiV3O4
| 3 | false | -0.341739 | -0.326802 | -0.868213 | false | 0.590119 | -0.774906 |
['Li', 'O', 'V']
|
mp-1290247
|
Li(CoO2)4
| 3 | true | 0.752905 | 0.174397 | -0.070999 | false | 0.438529 | -0.431312 |
['Co', 'Li', 'O']
|
mp-1306886
|
Li(CoO2)4
| 3 | true | 0.787178 | 0.183436 | -0.122323 | false | 0.61881 | -0.477815 |
['Co', 'Li', 'O']
|
mp-1238817
|
Li(CrS2)2
| 3 | false | 0.969648 | 0.228989 | -0.868213 | false | -0.32556 | -0.535304 |
['Cr', 'Li', 'S']
|
mp-1284451
|
LiMn3O4
| 3 | true | -0.080675 | -0.266451 | -0.868213 | false | 0.592348 | -0.750436 |
['Li', 'Mn', 'O']
|
mp-552024
|
Li(CoO2)2
| 3 | true | 0.54905 | 0.19271 | -0.868213 | false | 0.643142 | -0.853853 |
['Co', 'Li', 'O']
|
mp-675334
|
LiTi2O4
| 3 | false | -1.241961 | -0.342806 | -0.868213 | false | 0.218367 | -1.042108 |
['Li', 'O', 'Ti']
|
mp-753209
|
LiAgF4
| 3 | false | 0.17765 | -0.167209 | -0.868213 | false | 0.313218 | -1.021268 |
['Ag', 'F', 'Li']
|
mp-754922
|
LiV2O4
| 3 | false | -0.498043 | -0.245132 | -0.564738 | false | 0.016414 | -1.018621 |
['Li', 'O', 'V']
|
mp-753338
|
LiVF4
| 3 | false | -1.293125 | 0.295931 | 0.619774 | true | -0.598428 | -1.013369 |
['F', 'Li', 'V']
|
mp-773525
|
LiFe3O4
| 3 | true | 0.332157 | -0.082283 | -0.30541 | false | 0.845004 | -1.010059 |
['Fe', 'Li', 'O']
|
mp-996989
|
LiAgO2
| 3 | false | 1.285593 | 0.815297 | -0.868213 | false | 0.667251 | -0.941602 |
['Ag', 'Li', 'O']
|
mp-557403
|
LiFe2F6
| 3 | true | -0.857667 | 0.334699 | 0.286778 | true | -0.085258 | -0.622381 |
['F', 'Fe', 'Li']
|
mp-753573
|
LiVF6
| 3 | false | -1.067171 | 0.442144 | 1.242297 | true | -0.673885 | -0.637264 |
['F', 'Li', 'V']
|
mp-1222351
|
LiFeF6
| 3 | true | -0.2292 | 0.685405 | -0.01717 | false | -0.311249 | -0.722092 |
['F', 'Fe', 'Li']
|
mp-1008927
|
LiFeAs
| 3 | true | 2.015402 | 0.61479 | -0.868213 | false | 1.676766 | -1.13261 |
['As', 'Fe', 'Li']
|
mp-1008925
|
LiFeP
| 3 | true | 1.800202 | 0.485948 | -0.846004 | false | 0.583288 | -1.140882 |
['Fe', 'Li', 'P']
|
mp-1218743
|
Sr2LiN
| 3 | false | 1.762194 | -1.029039 | -0.868213 | false | -0.464558 | -0.930315 |
['Li', 'N', 'Sr']
|
mp-1276591
|
LiV3O4
| 3 | false | -0.296183 | -0.314788 | -0.868213 | false | 0.606283 | -0.77731 |
['Li', 'O', 'V']
|
mp-20747
|
LiSi3Pd
| 3 | false | 2.244477 | 0.774841 | -0.868213 | false | 0.259165 | -1.009136 |
['Li', 'Pd', 'Si']
|
mp-1222354
|
LiInO2
| 3 | false | -0.095698 | 0.457088 | 0.497152 | true | 1.407902 | -0.986291 |
['In', 'Li', 'O']
|
mp-29324
|
Li(Mo4O5)2
| 3 | false | 0.869233 | -0.341739 | -0.868213 | false | 1.510256 | 0.253527 |
['Li', 'Mo', 'O']
|
mp-755244
|
LiVF4
| 3 | false | -1.376243 | 0.27401 | 0.627764 | true | -0.180599 | -0.869258 |
['F', 'Li', 'V']
|
mp-1018783
|
LiBeB
| 3 | false | 2.036724 | 0.88361 | -0.868213 | false | -1.567605 | -1.055758 |
['B', 'Be', 'Li']
|
mp-1079276
|
LiAsSe2
| 3 | false | 1.478549 | -1.387505 | -0.536706 | false | 0.545661 | -0.734518 |
['As', 'Li', 'Se']
|
mp-1298536
|
LiFe2O3
| 3 | true | 0.231967 | -0.029386 | 0.185214 | true | 0.585422 | -0.892664 |
['Fe', 'Li', 'O']
|
mp-1407206
|
LiBH4
| 3 | false | 1.729773 | 0.922899 | 2.844307 | true | -1.93487 | -0.994754 |
['B', 'H', 'Li']
|
mp-2206511
|
LiSbS
| 3 | false | 1.250863 | -1.62551 | -0.128891 | false | 0.03916 | -0.833366 |
['Li', 'S', 'Sb']
|
mp-2468815
|
LiCoS2
| 3 | true | 1.137601 | 0.582501 | -0.868213 | false | -0.092639 | -0.892966 |
['Co', 'Li', 'S']
|
mp-27503
|
LiV3O8
| 3 | false | -0.406624 | -0.23065 | 0.345821 | true | -0.132494 | -0.461283 |
['Li', 'O', 'V']
|
mp-28327
|
LiGaBr3
| 3 | false | 0.610073 | 1.128182 | 1.16003 | true | 0.052327 | 0.34683 |
['Br', 'Ga', 'Li']
|
mp-29345
|
LiGaI3
| 3 | false | 1.064082 | 1.267577 | 0.670963 | true | 0.386403 | 0.788847 |
['Ga', 'I', 'Li']
|
mp-569238
|
Cs3LiI4
| 3 | false | 0.37376 | 1.248205 | 1.831168 | true | -0.041946 | 1.136926 |
['Cs', 'I', 'Li']
|
mp-752548
|
LiV2O4
| 3 | false | -0.525454 | -0.252362 | -0.255373 | false | -0.174431 | -0.763203 |
['Li', 'O', 'V']
|
mp-752742
|
LiCu2F4
| 3 | false | -0.044125 | 0.010706 | -0.868213 | false | 0.466288 | -0.785248 |
['Cu', 'F', 'Li']
|
mp-752928
|
LiCoS2
| 3 | true | 1.155584 | 0.587244 | -0.868213 | false | -0.102197 | -0.891595 |
['Co', 'Li', 'S']
|
mp-752619
|
LiVF3
| 3 | false | -1.113136 | 0.2741 | 0.762845 | true | -0.374244 | -0.892895 |
['F', 'Li', 'V']
|
mp-755179
|
LiFeF3
| 3 | true | -0.820215 | 0.386976 | 1.304184 | true | -0.346512 | -0.882775 |
['F', 'Fe', 'Li']
|
mp-752942
|
LiTi2O4
| 3 | false | -1.300991 | -0.358374 | -0.868213 | false | -0.246265 | -0.765561 |
['Li', 'O', 'Ti']
|
mp-752734
|
LiAg2F4
| 3 | false | 0.252537 | -0.782251 | -0.825759 | false | 0.791524 | -0.657559 |
['Ag', 'F', 'Li']
|
mp-765339
|
LiAgF4
| 3 | false | 0.209672 | -0.158764 | -0.868213 | false | 0.068118 | -0.288123 |
['Ag', 'F', 'Li']
|
mp-767268
|
LiV9O22
| 3 | false | -0.368157 | -0.303932 | -0.868213 | false | -0.236518 | 1.069594 |
['Li', 'O', 'V']
|
mp-773031
|
LiV9O22
| 3 | false | -0.362022 | -0.302314 | -0.868213 | false | -0.253316 | 1.086779 |
['Li', 'O', 'V']
|
mp-777447
|
LiFe2F7
| 3 | true | -0.743447 | 0.407078 | 1.500745 | true | -0.586951 | -0.398246 |
['F', 'Fe', 'Li']
|
mp-780639
|
LiFeF3
| 3 | true | -0.896227 | 0.366929 | 1.35808 | true | -0.244485 | -0.898785 |
['F', 'Fe', 'Li']
|
mp-977334
|
LiTi2O4
| 3 | false | -1.364217 | -0.375048 | -0.868213 | false | 0.064537 | -0.407115 |
['Li', 'O', 'Ti']
|
mp-1098011
|
LiB2O3
| 3 | false | 0.019177 | 0.087678 | -0.153741 | false | -1.878805 | 1.879239 |
['B', 'Li', 'O']
|
mp-1200259
|
LiB2O3
| 3 | false | -0.127383 | 0.049026 | -0.319155 | false | -1.705154 | 1.205898 |
['B', 'Li', 'O']
|
mp-1079418
|
LiH2N
| 3 | false | 1.557534 | 0.713671 | -0.868213 | false | -1.657043 | -1.065232 |
['H', 'Li', 'N']
|
mp-753881
|
LiAg2F6
| 3 | false | 0.360192 | -0.424838 | -0.868213 | false | 0.508065 | -0.522212 |
['Ag', 'F', 'Li']
|
mp-1222484
|
LiMn8O16
| 3 | true | 0.145124 | -0.214604 | -0.868213 | false | 0.234691 | -0.416857 |
['Li', 'Mn', 'O']
|
mp-1222305
|
LiNbAs2
| 3 | false | 2.045248 | 0.529448 | -0.868213 | false | 0.193199 | -0.941727 |
['As', 'Li', 'Nb']
|
mp-1222348
|
LiEu2Ga7
| 3 | false | 1.594226 | -2.669467 | -0.868213 | false | 1.939219 | -0.661972 |
['Eu', 'Ga', 'Li']
|
mp-1235571
|
Li(SiO2)5
| 3 | false | -1.062459 | -0.165257 | -0.868213 | false | -1.424391 | -0.329122 |
['Li', 'O', 'Si']
|
mp-34993
|
LiAlO2
| 3 | false | -1.122375 | 0.114773 | 2.363298 | true | -0.228665 | -0.125313 |
['Al', 'Li', 'O']
|
mp-1232984
|
LiMn4O8
| 3 | true | 0.509134 | -0.070998 | -0.868213 | false | -0.569301 | -0.651563 |
['Li', 'Mn', 'O']
|
mp-2764466
|
Li(MoO2)2
| 3 | false | -0.131636 | -1.745894 | -0.424241 | false | 1.510777 | -0.818665 |
['Li', 'Mo', 'O']
|
mp-753373
|
LiVF4
| 3 | false | -1.278923 | 0.299676 | -0.868213 | false | -0.601027 | -1.013063 |
['F', 'Li', 'V']
|
mp-1001079
|
Li(CN)2
| 3 | false | 2.17153 | -0.038128 | 0.425177 | true | -1.503042 | -0.862035 |
['C', 'Li', 'N']
|
mp-1045647
|
Li(CoO2)4
| 3 | true | 0.904067 | 0.214263 | -0.868213 | false | 0.335954 | -0.820186 |
['Co', 'Li', 'O']
|
mp-1045572
|
Li(NiO2)4
| 3 | true | 1.126485 | 0.393737 | -0.868213 | false | 0.465148 | -0.839376 |
['Li', 'Ni', 'O']
|
mp-1080020
|
LiMoO2
| 3 | false | 0.188293 | -0.054584 | -0.868213 | false | 1.196823 | -1.00463 |
['Li', 'Mo', 'O']
|
mp-1097885
|
LiCoO2
| 3 | true | 0.298963 | 0.243877 | 0.494647 | true | 0.61721 | -0.83642 |
['Co', 'Li', 'O']
|
mp-1104112
|
LiTi2O4
| 3 | false | -1.344083 | -0.369739 | -0.868213 | false | -0.080337 | -0.797847 |
['Li', 'O', 'Ti']
|
mp-1176521
|
LiVO3
| 3 | false | -0.408422 | -0.06825 | -0.868077 | false | -0.268667 | -0.93493 |
['Li', 'O', 'V']
|
mp-1176629
|
LiMnF4
| 3 | true | -0.999728 | 0.369531 | -0.238513 | false | -0.604035 | -0.773805 |
['F', 'Li', 'Mn']
|
mp-1176695
|
LiFeF4
| 3 | true | -0.859148 | 0.440069 | 1.370742 | true | -0.542092 | -1.011809 |
['F', 'Fe', 'Li']
|
mp-1176626
|
LiMnF4
| 3 | true | -1.000771 | 0.369255 | 0.752553 | true | -0.689306 | -0.752048 |
['F', 'Li', 'Mn']
|
mp-1176693
|
LiFeF4
| 3 | true | -0.919311 | 0.424202 | 1.609893 | true | -0.558328 | -0.781702 |
['F', 'Fe', 'Li']
|
mp-1180580
|
LiHF2
| 3 | false | -0.597697 | 0.718733 | 4.952447 | false | -0.957185 | -1.143172 |
['F', 'H', 'Li']
|
mp-1191712
|
LiFe6Ge5
| 3 | true | 1.976061 | 0.226064 | -0.868213 | false | 2.495743 | -0.33408 |
['Fe', 'Ge', 'Li']
|
mp-1211074
|
LiPtO2
| 3 | false | 0.941005 | 0.490256 | -0.868213 | false | 3.475442 | -0.861798 |
['Li', 'O', 'Pt']
|
mp-1211669
|
Li(NO)6
| 3 | false | 2.003827 | 0.245398 | -0.835103 | false | -2.14675 | 0.417208 |
['Li', 'N', 'O']
|
mp-1210897
|
LiV4O8
| 3 | false | -0.51567 | -0.334294 | -0.868213 | false | 0.01353 | -0.807418 |
['Li', 'O', 'V']
|
mp-1210872
|
LiIrO2
| 3 | false | 0.661259 | 0.215748 | -0.868145 | false | 3.787709 | -0.884844 |
['Ir', 'Li', 'O']
|
mp-1211133
|
LiPd5O6
| 3 | false | 1.384059 | 0.513574 | -0.868213 | false | 2.434791 | -0.826077 |
['Li', 'O', 'Pd']
|
mp-1222527
|
LiV3O6
| 3 | false | -0.460134 | -0.290068 | -0.622765 | false | -0.00538 | -0.910437 |
['Li', 'O', 'V']
|
mp-1222726
|
Li(TiTe2)2
| 3 | false | 1.051695 | 0.561306 | -0.868213 | false | 1.204007 | -0.708463 |
['Li', 'Te', 'Ti']
|
mp-1222978
|
Li(CoO2)2
| 3 | true | 0.701134 | 0.232819 | -0.868213 | false | 0.416157 | -0.824034 |
['Co', 'Li', 'O']
|
mp-1223278
|
Li(TiS2)2
| 3 | false | 0.325614 | 0.204839 | -0.868213 | false | -0.467607 | -0.875252 |
['Li', 'S', 'Ti']
|
mp-1222821
|
Li(NiO2)3
| 3 | true | 1.024906 | 0.389153 | -0.354229 | false | 0.50069 | -0.643354 |
['Li', 'Ni', 'O']
|
mp-1236616
|
LiNd2O6
| 3 | false | -0.028162 | 0.205257 | -0.868213 | false | 0.795946 | -0.858214 |
['Li', 'Nd', 'O']
|
mp-1232998
|
LiV4O8
| 3 | false | -0.346677 | -0.289726 | -0.594937 | false | -0.141639 | -0.779187 |
['Li', 'O', 'V']
|
mp-1235362
|
LiTi4O8
| 3 | false | -1.479307 | -0.482336 | -0.868213 | false | -0.067487 | -0.809284 |
['Li', 'O', 'Ti']
|
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