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-1175254 | Li7Mn4CoO12 | 4 | true | -0.052426 | 0.116268 | -0.853384 | false | 0.146335 | -0.61082 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175259 | Li7Mn4CoO12 | 4 | true | -0.07375 | 0.110644 | -0.449496 | false | 0.133132 | -0.607685 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175264 | Li7Mn4CoO12 | 4 | true | -0.076706 | 0.109865 | -0.415709 | false | 0.117782 | -0.604001 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175202 | Li7Mn4CoO12 | 4 | true | -0.076185 | 0.110002 | -0.530139 | false | 0.155188 | -0.612904 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175214 | Li7Mn4CoO12 | 4 | true | -0.104841 | 0.102445 | -0.353213 | false | 0.166595 | -0.61557 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175215 | Li7Mn4CoO12 | 4 | true | -0.084484 | 0.107814 | -0.868213 | false | 0.133938 | -0.607877 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175246 | Li7Mn4CoO12 | 4 | true | -0.08841 | 0.106778 | -0.309473 | false | 0.138872 | -0.609052 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175255 | Li7Mn4CoO12 | 4 | true | -0.047237 | 0.117637 | -0.868213 | false | 0.10173 | -0.600102 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175222 | Li7Mn4CoO12 | 4 | true | -0.096333 | 0.104689 | -0.280832 | false | 0.129678 | -0.60686 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175239 | Li7Mn4CoO12 | 4 | true | -0.090637 | 0.106191 | -0.276904 | false | 0.14289 | -0.610005 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175243 | Li7Mn4CoO12 | 4 | true | -0.068459 | 0.11204 | -0.444621 | false | 0.135742 | -0.608307 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175203 | Li7Mn4CoO12 | 4 | true | -0.096911 | 0.104536 | -0.279003 | false | 0.135921 | -0.60835 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175256 | Li7Mn4CoO12 | 4 | true | -0.074318 | 0.110495 | -0.361948 | false | 0.121879 | -0.604989 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175285 | Li7Mn4CoO12 | 4 | true | -0.034911 | 0.120887 | -0.868213 | false | 0.099196 | -0.599482 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175283 | Li7Mn4CoO12 | 4 | true | -0.048246 | 0.117371 | -0.689256 | false | 0.080832 | -0.594954 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175286 | Li7Mn4CoO12 | 4 | true | -0.049025 | 0.117165 | -0.852437 | false | 0.090079 | -0.597242 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175291 | Li7Mn4CoO12 | 4 | true | -0.047697 | 0.117515 | -0.727106 | false | 0.088684 | -0.596898 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175301 | Li7Mn4CoO12 | 4 | true | -0.047613 | 0.117538 | -0.753445 | false | 0.092691 | -0.597885 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175297 | Li7Mn4CoO12 | 4 | true | -0.038347 | 0.119981 | -0.868213 | false | 0.088651 | -0.59689 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175287 | Li7Mn4CoO12 | 4 | true | -0.043822 | 0.118537 | -0.707809 | false | 0.101675 | -0.600089 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175289 | Li7Mn4CoO12 | 4 | true | -0.036382 | 0.1205 | -0.868213 | false | 0.085614 | -0.596139 | ['Co', 'Li', 'Mn', 'O'] |
mp-1176845 | Li7V3P8O29 | 4 | false | -0.773431 | -0.06922 | -0.862458 | false | -0.783931 | 2.158087 | ['Li', 'O', 'P', 'V'] |
mp-1176850 | Li7V3P8O29 | 4 | false | -0.781156 | -0.071257 | -0.460195 | false | -0.77091 | 2.132645 | ['Li', 'O', 'P', 'V'] |
mp-1176866 | Li7V3P8O29 | 4 | false | -0.781747 | -0.071413 | -0.226461 | false | -0.777945 | 2.146344 | ['Li', 'O', 'P', 'V'] |
mp-1176852 | Li7V3P8O29 | 4 | false | -0.785299 | -0.07235 | -0.788519 | false | -0.790605 | 2.171277 | ['Li', 'O', 'P', 'V'] |
mp-1176861 | Li7V3P8O29 | 4 | false | -0.788029 | -0.07307 | -0.252935 | false | -0.776951 | 2.1444 | ['Li', 'O', 'P', 'V'] |
mp-1176863 | Li7V3P8O29 | 4 | false | -0.781903 | -0.071454 | -0.188747 | false | -0.766877 | 2.124843 | ['Li', 'O', 'P', 'V'] |
mp-1176878 | Li7V3P8O29 | 4 | false | -0.766456 | -0.06738 | -0.748231 | false | -0.765622 | 2.122421 | ['Li', 'O', 'P', 'V'] |
mp-1176872 | Li7V3P8O29 | 4 | false | -0.779141 | -0.070725 | -0.838082 | false | -0.781426 | 2.153162 | ['Li', 'O', 'P', 'V'] |
mp-1176870 | Li7V3P8O29 | 4 | false | -0.77979 | -0.070897 | -0.647683 | false | -0.774761 | 2.140131 | ['Li', 'O', 'P', 'V'] |
mp-1176871 | Li7V3P8O29 | 4 | false | -0.778982 | -0.070684 | -0.808087 | false | -0.77712 | 2.144731 | ['Li', 'O', 'P', 'V'] |
mp-1176864 | Li7V3P8O29 | 4 | false | -0.789107 | -0.073354 | -0.338317 | false | -0.783823 | 2.157874 | ['Li', 'O', 'P', 'V'] |
mp-1176865 | Li7V3P8O29 | 4 | false | -0.774403 | -0.069476 | -0.865098 | false | -0.761757 | 2.114988 | ['Li', 'O', 'P', 'V'] |
mp-1176869 | Li7V3P8O29 | 4 | false | -0.782036 | -0.071489 | -0.187054 | false | -0.787403 | 2.164936 | ['Li', 'O', 'P', 'V'] |
mp-1176890 | Li7Fe8(BO3)8 | 4 | true | -0.379563 | -0.125112 | 0.382926 | true | -0.310702 | 0.171243 | ['B', 'Fe', 'Li', 'O'] |
mp-1176893 | Li7V4(PO4)6 | 4 | false | -0.755192 | -0.082431 | -0.840046 | false | -0.617103 | 0.155933 | ['Li', 'O', 'P', 'V'] |
mp-1176885 | Li7Fe6(SiO4)6 | 4 | true | -0.593407 | -0.071758 | 0.480766 | true | -0.574338 | 0.314102 | ['Fe', 'Li', 'O', 'Si'] |
mp-1176910 | Li7Mn4(P2O7)4 | 4 | true | -0.724267 | -0.083715 | -0.721554 | false | -0.538997 | 1.90171 | ['Li', 'Mn', 'O', 'P'] |
mp-1176881 | Li7V3P8O29 | 4 | false | -0.778469 | -0.070548 | -0.5969 | false | -0.776707 | 2.143924 | ['Li', 'O', 'P', 'V'] |
mp-1176933 | Li7Fe4(P2O7)4 | 4 | true | -0.629162 | -0.041546 | 0.23085 | true | -0.498284 | 1.849714 | ['Fe', 'Li', 'O', 'P'] |
mp-1176941 | Li7V3P8O29 | 4 | false | -0.782778 | -0.071685 | -0.833478 | false | -0.780775 | 2.151886 | ['Li', 'O', 'P', 'V'] |
mp-1245361 | Li7IrN4 | 3 | false | 1.754852 | 0.658321 | -0.659396 | false | 0.302692 | 1.471156 | ['Ir', 'Li', 'N'] |
mp-1245805 | Li7MoN4 | 3 | false | 1.401394 | 0.516571 | -0.852572 | false | -0.620012 | 1.486497 | ['Li', 'Mo', 'N'] |
mp-14753 | Li7TaN4 | 3 | false | 1.095195 | -0.634163 | 1.453822 | true | 0.2297 | 1.437762 | ['Li', 'N', 'Ta'] |
mp-14827 | Li7NbN4 | 3 | false | 1.164732 | -0.038968 | 1.431478 | true | -0.624691 | 1.451947 | ['Li', 'N', 'Nb'] |
mp-4604 | Li7VN4 | 3 | false | 1.116602 | 0.205711 | 1.18691 | true | -0.897953 | 1.239732 | ['Li', 'N', 'V'] |
mp-1029517 | Li7BiN4 | 3 | false | 1.725329 | -0.707603 | -0.099505 | false | 0.172692 | 1.762913 | ['Bi', 'Li', 'N'] |
mp-1029522 | Li7SbN4 | 3 | false | 1.594451 | 0.729887 | 0.651869 | true | -0.459957 | 1.597063 | ['Li', 'N', 'Sb'] |
mp-1245358 | Li7RuN4 | 3 | false | 1.664836 | 0.62404 | -0.868213 | false | -0.550148 | 1.456534 | ['Li', 'N', 'Ru'] |
mp-1245354 | Li7CrN4 | 3 | false | 1.352428 | 0.532493 | -0.868213 | false | -0.950675 | 1.340926 | ['Cr', 'Li', 'N'] |
mp-14712 | Li7PN4 | 3 | false | 1.185502 | 0.346893 | 1.587887 | true | -1.00662 | 1.077868 | ['Li', 'N', 'P'] |
mp-1247494 | Li7ReN4 | 3 | false | 1.536669 | -0.610068 | -0.868213 | false | 0.197939 | 1.519018 | ['Li', 'N', 'Re'] |
mp-5515 | Li7MnN4 | 3 | true | 1.42439 | 0.563345 | -0.353755 | false | -0.835858 | 1.209076 | ['Li', 'Mn', 'N'] |
mp-4825 | Li7VN4 | 3 | false | 1.120302 | 0.206687 | 1.095299 | true | -0.903095 | 1.247665 | ['Li', 'N', 'V'] |
mp-568989 | Li7NiN4 | 3 | true | 1.77735 | 0.430935 | -0.868213 | false | -0.881432 | 1.336811 | ['Li', 'N', 'Ni'] |
mp-504574 | Li7IN2 | 3 | false | 2.304195 | 1.230643 | -0.868213 | false | -1.203004 | -0.238449 | ['I', 'Li', 'N'] |
mp-1653728 | Li7Co5O12 | 3 | true | 0.279898 | 0.30201 | -0.588775 | false | 0.351766 | -0.037744 | ['Co', 'Li', 'O'] |
mp-1200910 | Li7H5N4 | 3 | false | 1.535123 | 0.788616 | 0.91228 | true | -1.569642 | 0.259617 | ['H', 'Li', 'N'] |
mp-1211446 | Li7PSe6 | 3 | false | 0.941189 | -0.52547 | -0.236076 | false | -0.362234 | 2.069151 | ['Li', 'P', 'Se'] |
mp-1211324 | Li7PS6 | 3 | false | 0.756118 | 0.834394 | 0.540283 | true | -1.304044 | 1.657745 | ['Li', 'P', 'S'] |
mp-1176882 | Li7Fe5O12 | 3 | true | 0.102617 | 0.174462 | -0.868213 | false | 0.086337 | -0.595651 | ['Fe', 'Li', 'O'] |
mp-1222532 | Li7(SnO3)4 | 3 | false | -0.15948 | 0.376772 | -0.868213 | false | 0.663406 | -0.514712 | ['Li', 'O', 'Sn'] |
mp-1648494 | Li7Co5O12 | 3 | true | 0.25881 | 0.296449 | -0.624661 | false | 0.414451 | -0.063482 | ['Co', 'Li', 'O'] |
mp-1638688 | Li7Co5O12 | 3 | true | 0.274 | 0.300455 | -0.868213 | false | 0.409564 | -0.649832 | ['Co', 'Li', 'O'] |
mp-675534 | Li7Mn10O24 | 3 | true | -0.013416 | -0.048095 | -0.868213 | false | 0.072381 | -0.017857 | ['Li', 'Mn', 'O'] |
mp-690435 | Li7Mn11O24 | 3 | true | -0.057885 | -0.085419 | -0.306223 | false | 0.146677 | 0.014368 | ['Li', 'Mn', 'O'] |
mp-699179 | Li7Mn17O32 | 3 | true | -0.083649 | -0.1799 | -0.868213 | false | 0.22231 | 0.517167 | ['Li', 'Mn', 'O'] |
mp-755638 | Li7Ni5O12 | 3 | true | 0.483536 | 0.437518 | -0.505425 | false | 0.543866 | -0.676972 | ['Li', 'Ni', 'O'] |
mp-756388 | Li7Ni5O12 | 3 | true | 0.515585 | 0.44597 | -0.868213 | false | 0.411541 | -0.651547 | ['Li', 'Ni', 'O'] |
mp-756600 | Li7Mn5O12 | 3 | true | -0.191922 | 0.054954 | -0.374745 | false | 0.135209 | -0.613027 | ['Li', 'Mn', 'O'] |
mp-756862 | Li7Fe5O12 | 3 | true | 0.085973 | 0.170073 | -0.834493 | false | 0.301399 | -0.644815 | ['Fe', 'Li', 'O'] |
mp-758820 | Li7(NiO2)12 | 3 | true | 0.818789 | 0.395215 | -0.868213 | false | 0.606939 | -0.067682 | ['Li', 'Ni', 'O'] |
mp-770769 | Li7Co5O12 | 3 | true | 0.342409 | 0.318496 | -0.868213 | false | 0.473828 | -0.662507 | ['Co', 'Li', 'O'] |
mp-776654 | Li7V5O12 | 3 | false | -0.536975 | -0.031324 | -0.085151 | false | 0.010434 | -0.607513 | ['Li', 'O', 'V'] |
mp-1223302 | Li7Ta24O64 | 3 | false | -1.374881 | -0.70167 | -0.868213 | false | 2.551968 | 2.194451 | ['Li', 'O', 'Ta'] |
mp-38468 | Li7Ti12O24 | 3 | false | -1.294683 | -0.333451 | -0.868213 | false | 0.148911 | -0.02279 | ['Li', 'O', 'Ti'] |
mp-675734 | Li7B18O | 3 | false | 1.717892 | 0.445777 | -0.868213 | false | -1.304543 | -0.547876 | ['B', 'Li', 'O'] |
mp-766543 | Li7Ti11O24 | 3 | false | -1.345075 | -0.328643 | -0.868213 | false | -0.085032 | 0.031154 | ['Li', 'O', 'Ti'] |
mp-937591 | Li7MnAs4 | 3 | true | 1.61861 | 0.969335 | -0.868213 | false | -0.436191 | 0.009879 | ['As', 'Li', 'Mn'] |
mp-1201607 | Li7CuSi2 | 3 | false | 1.929839 | 1.226233 | -0.868213 | false | -1.254338 | 0.483058 | ['Cu', 'Li', 'Si'] |
mp-768156 | Li7(SbS)2 | 3 | false | 1.087655 | 1.037001 | -0.868213 | false | -0.675859 | 1.255416 | ['Li', 'S', 'Sb'] |
mp-1176851 | Li7NbS6 | 3 | false | 0.673641 | 0.71553 | 0.737928 | true | -1.147566 | 0.335242 | ['Li', 'Nb', 'S'] |
mp-768982 | Li7NbS6 | 3 | false | 0.658642 | 0.711574 | 0.60393 | true | -1.130826 | 0.316132 | ['Li', 'Nb', 'S'] |
mp-675941 | Li7IN2 | 3 | false | 1.444445 | 1.003902 | 0.425041 | true | -0.862078 | -0.445381 | ['I', 'Li', 'N'] |
mp-766834 | Li7Ti16O32 | 3 | false | -1.39014 | -0.40007 | -0.868213 | false | -0.00347 | 0.460144 | ['Li', 'O', 'Ti'] |
mp-771242 | Li7W5O16 | 3 | false | -0.224225 | -0.1506 | -0.132344 | false | 1.976711 | -0.362955 | ['Li', 'O', 'W'] |
mp-675473 | Li7MnAs4 | 3 | true | 1.571163 | 0.956822 | -0.868213 | false | -0.436178 | 0.009871 | ['As', 'Li', 'Mn'] |
mp-771074 | Li7CrO6 | 3 | false | -0.109345 | 0.417651 | -0.277514 | false | -1.015408 | -0.39375 | ['Cr', 'Li', 'O'] |
mp-1174708 | Li7Mn2(CoO4)3 | 4 | true | 0.116178 | 0.209783 | -0.454236 | false | 0.20766 | -0.615545 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174700 | Li7Mn2(CoO4)3 | 4 | true | 0.102724 | 0.206235 | -0.257675 | false | 0.222747 | -0.618984 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174919 | Li7Mn2(CoO4)3 | 4 | true | 0.083282 | 0.201108 | -0.048655 | false | 0.234773 | -0.621697 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174885 | Li7Mn4CoO12 | 4 | true | -0.090237 | 0.106296 | -0.330124 | false | 0.133196 | -0.6077 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174928 | Li7Mn2(CoO4)3 | 4 | true | 0.096387 | 0.204564 | -0.388219 | false | 0.224391 | -0.619356 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174932 | Li7Mn2(CoO4)3 | 4 | true | 0.086132 | 0.201859 | -0.316718 | false | 0.536921 | -0.682846 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174925 | Li7Mn2(CoO4)3 | 4 | true | 0.083802 | 0.201245 | -0.21908 | false | 0.236304 | -0.622041 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174921 | Li7Mn2(CoO4)3 | 4 | true | 0.081975 | 0.200763 | -0.127943 | false | 0.23728 | -0.62226 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174922 | Li7Mn2(CoO4)3 | 4 | true | 0.099978 | 0.205511 | -0.227206 | false | 0.232733 | -0.621239 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174930 | Li7Mn2(CoO4)3 | 4 | true | 0.09872 | 0.205179 | -0.827655 | false | 0.227441 | -0.620046 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174933 | Li7Mn2(CoO4)3 | 4 | true | 0.094845 | 0.204157 | -0.076281 | false | 0.235634 | -0.621891 | ['Co', 'Li', 'Mn', 'O'] |
mp-1174781 | Li7Mn2(CoO4)3 | 4 | true | 0.162767 | 0.22207 | -0.868213 | false | 0.160576 | -0.604564 | ['Co', 'Li', 'Mn', 'O'] |
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