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-26046 | LiCr2(PO4)3 | 4 | false | -0.531324 | -0.162316 | -0.647276 | false | -0.439884 | 1.216692 | ['Cr', 'Li', 'O', 'P'] |
mp-25889 | LiCoPO4 | 4 | true | -0.425802 | 0.006822 | 1.224015 | true | -0.461721 | 1.786212 | ['Co', 'Li', 'O', 'P'] |
mp-26040 | LiMn2(PO4)3 | 4 | true | -0.429821 | -0.119716 | -0.122865 | false | -0.338471 | 1.136785 | ['Li', 'Mn', 'O', 'P'] |
mp-26070 | LiFe2(PO4)3 | 4 | true | -0.268429 | -0.054844 | -0.854874 | false | -0.419767 | 1.240335 | ['Fe', 'Li', 'O', 'P'] |
mp-26121 | LiMnPO4 | 4 | true | -0.710028 | -0.152221 | 1.611653 | true | -0.604358 | -0.181451 | ['Li', 'Mn', 'O', 'P'] |
mp-26157 | LiSb(PO3)4 | 4 | false | -0.586337 | -0.019474 | 2.172695 | true | -0.534545 | 1.651139 | ['Li', 'O', 'P', 'Sb'] |
mp-26088 | LiCo2(PO4)3 | 4 | true | -0.077454 | 0.038612 | -0.868213 | false | -0.491547 | 1.367796 | ['Co', 'Li', 'O', 'P'] |
mp-26193 | LiMo2P3O13 | 4 | false | -0.510881 | -0.186754 | 0.689245 | true | -0.353018 | 1.736089 | ['Li', 'Mo', 'O', 'P'] |
mp-26086 | LiMo2(PO4)3 | 4 | false | -0.580559 | -0.213748 | -0.173647 | false | -0.244307 | 1.502673 | ['Li', 'Mo', 'O', 'P'] |
mp-26123 | LiV2(PO4)3 | 4 | false | -0.740257 | -0.199069 | -0.868213 | false | -0.522547 | 1.305217 | ['Li', 'O', 'P', 'V'] |
mp-26129 | LiBiP2O7 | 4 | false | -0.618097 | 0.023509 | 1.916482 | true | 0.658617 | 0.34117 | ['Bi', 'Li', 'O', 'P'] |
mp-26345 | LiNiP2O7 | 4 | true | -0.339903 | 0.047021 | -0.868213 | false | -0.347129 | 0.183846 | ['Li', 'Ni', 'O', 'P'] |
mp-26299 | LiSnPO4 | 4 | false | -0.528144 | 0.109314 | 1.768604 | true | -0.287739 | 0.036328 | ['Li', 'O', 'P', 'Sn'] |
mp-26339 | LiMnP2O7 | 4 | true | -0.635389 | -0.120111 | 0.0934 | true | -0.425091 | 0.213919 | ['Li', 'Mn', 'O', 'P'] |
mp-26403 | LiNiPO4 | 4 | true | -0.395758 | 0.070838 | 1.318877 | true | -0.428113 | -0.247789 | ['Li', 'Ni', 'O', 'P'] |
mp-26438 | LiNi2(PO4)3 | 4 | true | -0.004501 | 0.10148 | -0.859614 | false | -0.556428 | 1.451231 | ['Li', 'Ni', 'O', 'P'] |
mp-26323 | LiMoP2O7 | 4 | false | -0.642481 | -0.166391 | 2.094626 | true | -0.222832 | 0.315593 | ['Li', 'Mo', 'O', 'P'] |
mp-26389 | LiNb2(PO4)3 | 4 | false | -0.88432 | -0.269862 | -0.868213 | false | -0.359518 | 1.613353 | ['Li', 'Nb', 'O', 'P'] |
mp-26397 | LiMnP2O7 | 4 | true | -0.631741 | -0.119149 | -0.006946 | false | -0.301746 | 0.132779 | ['Li', 'Mn', 'O', 'P'] |
mp-26493 | LiCrP2O7 | 4 | false | -0.74083 | -0.160871 | 1.298157 | true | -0.443104 | 0.208306 | ['Cr', 'Li', 'O', 'P'] |
mp-26607 | LiMnPO4 | 4 | true | -0.684844 | -0.145579 | 1.658305 | true | -0.292349 | -0.330181 | ['Li', 'Mn', 'O', 'P'] |
mp-26639 | LiCoP2O7 | 4 | true | -0.375718 | 0.00188 | 0.596076 | true | -0.260691 | 0.130548 | ['Co', 'Li', 'O', 'P'] |
mp-26647 | LiCoP2O7 | 4 | true | -0.372338 | 0.002771 | -0.186174 | false | -0.36777 | 0.198991 | ['Co', 'Li', 'O', 'P'] |
mp-26461 | LiVPO5 | 4 | false | -0.731423 | -0.146521 | 0.287862 | true | -0.391052 | -0.21515 | ['Li', 'O', 'P', 'V'] |
mp-26702 | LiSn2(PO4)3 | 4 | false | -0.604904 | 0.000217 | 1.506432 | true | 0.007552 | 1.460586 | ['Li', 'O', 'P', 'Sn'] |
mp-26467 | LiCuPO4 | 4 | false | -0.236382 | 0.182544 | -0.868213 | false | -0.327172 | -0.265066 | ['Cu', 'Li', 'O', 'P'] |
mp-26643 | LiFeP2O7 | 4 | true | -0.57646 | -0.086317 | 0.952296 | true | -0.46471 | 0.247752 | ['Fe', 'Li', 'O', 'P'] |
mp-26652 | LiSb(PO3)5 | 4 | false | -0.498137 | -0.008205 | -0.780326 | false | -0.797898 | 2.688002 | ['Li', 'O', 'P', 'Sb'] |
mp-26627 | LiMoP2O7 | 4 | false | -0.62936 | -0.162931 | 1.870642 | true | -0.087406 | 0.228705 | ['Li', 'Mo', 'O', 'P'] |
mp-26675 | LiSb(PO3)4 | 4 | false | -0.565012 | -0.01385 | 2.044656 | true | -0.612151 | 1.769341 | ['Li', 'O', 'P', 'Sb'] |
mp-26571 | LiCrP2O7 | 4 | false | -0.732659 | -0.158716 | 1.135587 | true | -0.383199 | 0.167547 | ['Cr', 'Li', 'O', 'P'] |
mp-26785 | LiNiP2O7 | 4 | true | -0.31979 | 0.052325 | -0.868213 | false | -0.246422 | 0.120557 | ['Li', 'Ni', 'O', 'P'] |
mp-26847 | LiCoP2O7 | 4 | true | -0.376703 | 0.00162 | -0.119006 | false | -0.540129 | 0.324793 | ['Co', 'Li', 'O', 'P'] |
mp-26817 | LiVP2O7 | 4 | false | -0.801021 | -0.161733 | -0.868213 | false | -0.521717 | 0.258713 | ['Li', 'O', 'P', 'V'] |
mp-26853 | LiCrP2O7 | 4 | false | -0.722455 | -0.156025 | 0.846669 | true | -0.309456 | 0.120422 | ['Cr', 'Li', 'O', 'P'] |
mp-26715 | LiCoP2O7 | 4 | true | -0.39604 | -0.00348 | -0.868213 | false | -0.092883 | 0.035491 | ['Co', 'Li', 'O', 'P'] |
mp-26749 | LiFeP2O7 | 4 | true | -0.567415 | -0.083932 | 0.879035 | true | -0.419663 | 0.215717 | ['Fe', 'Li', 'O', 'P'] |
mp-26837 | LiMoP2O7 | 4 | false | -0.624193 | -0.161568 | 1.880799 | true | -0.203682 | 0.302687 | ['Li', 'Mo', 'O', 'P'] |
mp-26887 | LiVP2O7 | 4 | false | -0.786314 | -0.157854 | 0.509611 | true | -0.473106 | 0.222974 | ['Li', 'O', 'P', 'V'] |
mp-26832 | LiMo(PO4)2 | 4 | false | -0.520106 | -0.125778 | 0.086019 | true | -0.340838 | -0.371654 | ['Li', 'Mo', 'O', 'P'] |
mp-26717 | LiFeP2O7 | 4 | true | -0.565335 | -0.083383 | 0.56669 | true | -0.340056 | 0.162358 | ['Fe', 'Li', 'O', 'P'] |
mp-27094 | LiSn2(PO4)3 | 4 | false | -0.607718 | -0.000525 | 1.560194 | true | 0.011871 | 1.455963 | ['Li', 'O', 'P', 'Sn'] |
mp-32022 | LiMnP2O7 | 4 | true | -0.629046 | -0.118438 | 0.29619 | true | -0.599102 | 0.346209 | ['Li', 'Mn', 'O', 'P'] |
mp-32396 | LiNiP2O7 | 4 | true | -0.29653 | 0.05846 | -0.608479 | false | -0.552482 | 0.333088 | ['Li', 'Ni', 'O', 'P'] |
mp-504184 | LiFePO4 | 4 | true | -0.543709 | -0.079675 | 1.536563 | true | -0.572059 | -0.193063 | ['Fe', 'Li', 'O', 'P'] |
mp-32465 | LiV(PO4)2 | 4 | false | -0.635393 | -0.113586 | 0.459573 | true | -0.771714 | 0.592269 | ['Li', 'O', 'P', 'V'] |
mp-504206 | LiV(PO3)5 | 4 | false | -0.652135 | -0.114167 | -0.250769 | false | -0.88731 | 2.344114 | ['Li', 'O', 'P', 'V'] |
mp-504264 | LiCuPO4 | 4 | false | -0.244905 | 0.180297 | -0.498721 | false | 0.031822 | -0.402547 | ['Cu', 'Li', 'O', 'P'] |
mp-510529 | LiCr(SiO3)2 | 4 | false | -1.046268 | -0.248856 | 1.342169 | true | -0.299518 | -0.012153 | ['Cr', 'Li', 'O', 'Si'] |
mp-540038 | LiMo(PO4)2 | 4 | false | -0.541931 | -0.131534 | 0.78722 | true | -0.571994 | 0.701639 | ['Li', 'Mo', 'O', 'P'] |
mp-540415 | LiMnP2O7 | 4 | true | -0.621255 | -0.116384 | -0.031118 | false | -0.500941 | 0.268765 | ['Li', 'Mn', 'O', 'P'] |
mp-542874 | LiAl(SiO3)2 | 4 | false | -1.33956 | -0.154801 | 2.862995 | true | -0.429293 | -0.089992 | ['Al', 'Li', 'O', 'Si'] |
mp-543044 | BaLiAlF6 | 4 | false | -2.075023 | 0.377154 | 4.177578 | false | 0.105749 | 0.161651 | ['Al', 'Ba', 'F', 'Li'] |
mp-554101 | LiIn(MoO4)2 | 4 | false | -0.09228 | -0.080018 | 1.610637 | true | 0.09595 | 0.937299 | ['In', 'Li', 'Mo', 'O'] |
mp-554076 | BaLiBS3 | 4 | false | 0.485203 | 0.558238 | 0.589711 | true | -0.403692 | 0.293337 | ['B', 'Ba', 'Li', 'S'] |
mp-554131 | SrLiCoF6 | 4 | true | -1.18603 | 0.509691 | 0.63115 | true | -0.091319 | 0.181509 | ['Co', 'F', 'Li', 'Sr'] |
mp-554998 | LiV(IO4)2 | 4 | false | 0.56042 | 0.389967 | 0.932458 | true | 0.474979 | 0.652606 | ['I', 'Li', 'O', 'V'] |
mp-555489 | LiY6B3O14 | 4 | false | -1.75171 | -0.498156 | 2.307911 | true | 0.505546 | 2.153538 | ['B', 'Li', 'O', 'Y'] |
mp-555591 | SrLiAlF6 | 4 | false | -2.064455 | 0.387244 | 4.105941 | false | -0.187327 | 0.063619 | ['Al', 'F', 'Li', 'Sr'] |
mp-555232 | LiU4P3O20 | 4 | false | -1.381251 | -0.507135 | 0.3769 | true | 1.071305 | 3.679005 | ['Li', 'O', 'P', 'U'] |
mp-556156 | LiUBO5 | 4 | false | -1.326117 | -0.429261 | 0.522408 | true | 1.048255 | -0.026917 | ['B', 'Li', 'O', 'U'] |
mp-556237 | KLiYF5 | 4 | false | -1.99322 | 0.319682 | 4.123072 | false | -0.273718 | 0.081806 | ['F', 'K', 'Li', 'Y'] |
mp-556906 | Na3LiBe2F8 | 4 | false | -1.438476 | 0.564093 | 3.970251 | true | -0.835263 | 0.647171 | ['Be', 'F', 'Li', 'Na'] |
mp-557473 | K5LiGe2O7 | 4 | false | -0.124333 | 0.510806 | 1.379544 | true | -0.529103 | 1.741185 | ['Ge', 'K', 'Li', 'O'] |
mp-558941 | LiYSiO4 | 4 | false | -1.571942 | -0.269978 | 2.703471 | true | -0.066843 | -0.250718 | ['Li', 'O', 'Si', 'Y'] |
mp-559300 | KLi(PO3)2 | 4 | false | -0.793444 | 0.065647 | 2.670564 | true | -0.844102 | 1.906063 | ['K', 'Li', 'O', 'P'] |
mp-559277 | SrLiFeF6 | 4 | true | -1.48008 | 0.389051 | 1.931107 | true | -0.150137 | 0.200107 | ['F', 'Fe', 'Li', 'Sr'] |
mp-559840 | LiV(SiO3)2 | 4 | false | -1.08743 | -0.243198 | 0.409671 | true | -0.346496 | 0.008221 | ['Li', 'O', 'Si', 'V'] |
mp-559719 | LiPr(SO4)2 | 4 | false | -0.610069 | 0.058542 | 2.784926 | true | -0.175598 | 0.63141 | ['Li', 'O', 'Pr', 'S'] |
mp-559680 | LiV(GeO3)2 | 4 | false | -0.348322 | -0.001718 | 0.563575 | true | 0.368246 | 0.096024 | ['Ge', 'Li', 'O', 'V'] |
mp-560104 | LiTaGeO5 | 4 | false | -0.863726 | -0.253608 | 1.692972 | true | 1.279712 | -0.084829 | ['Ge', 'Li', 'O', 'Ta'] |
mp-560297 | LiTaSiO5 | 4 | false | -1.3429 | -0.409077 | 1.699879 | true | 0.92905 | -0.133492 | ['Li', 'O', 'Si', 'Ta'] |
mp-560949 | BaLiCrF6 | 4 | false | -1.670389 | 0.293419 | 1.814985 | true | 0.180593 | 0.242041 | ['Ba', 'Cr', 'F', 'Li'] |
mp-561474 | K3LiSiO4 | 4 | false | -0.502809 | 0.42222 | 1.619711 | true | -0.753117 | 1.923441 | ['K', 'Li', 'O', 'Si'] |
mp-561778 | CsLiCrO4 | 4 | false | -0.13308 | 0.166417 | 1.208374 | true | -0.320827 | 0.262119 | ['Cr', 'Cs', 'Li', 'O'] |
mp-562137 | KLiCO3 | 4 | false | -0.237412 | 0.165021 | 2.212238 | true | -1.063597 | -0.296726 | ['C', 'K', 'Li', 'O'] |
mp-570948 | LiCaGaN2 | 4 | false | 1.247093 | 0.497039 | 0.575289 | true | 0.157356 | -0.541519 | ['Ca', 'Ga', 'Li', 'N'] |
mp-581285 | LiGd6B3O14 | 4 | false | -1.721461 | -1.039067 | 1.104846 | true | 1.892419 | 2.280364 | ['B', 'Gd', 'Li', 'O'] |
mp-583853 | LiCrPO4 | 4 | false | -0.631533 | -0.151873 | 0.926431 | true | -0.594758 | -0.206471 | ['Cr', 'Li', 'O', 'P'] |
mp-584239 | LiCo3P3O11 | 4 | true | -0.181245 | -0.023989 | 0.874701 | true | -0.149154 | 1.223167 | ['Co', 'Li', 'O', 'P'] |
mp-585241 | LiBi2(PO4)3 | 4 | false | -0.357008 | 0.069448 | -0.504341 | false | 0.439048 | 1.851426 | ['Bi', 'Li', 'O', 'P'] |
mp-604486 | LiB3H18N5 | 4 | false | 1.745201 | 0.658409 | 1.456327 | true | -1.942179 | 1.648901 | ['B', 'H', 'Li', 'N'] |
mp-6099 | LiSc(SiO3)2 | 4 | false | -1.503765 | -0.273165 | 2.492488 | true | -0.519814 | 0.078201 | ['Li', 'O', 'Sc', 'Si'] |
mp-6211 | RbLiSO4 | 4 | false | -0.359191 | 0.33236 | 2.747212 | true | -0.474022 | -0.04974 | ['Li', 'O', 'Rb', 'S'] |
mp-6241 | LiGa(SiO3)2 | 4 | false | -1.007099 | -0.046305 | 2.138096 | true | -0.098605 | -0.01997 | ['Ga', 'Li', 'O', 'Si'] |
mp-643458 | LiHSO4 | 4 | false | 0.041071 | 0.337835 | 3.29241 | true | -1.139506 | -0.263631 | ['H', 'Li', 'O', 'S'] |
mp-6499 | BaLiBO3 | 4 | false | -1.083558 | 0.027059 | 2.171273 | true | 0.342244 | -0.324217 | ['B', 'Ba', 'Li', 'O'] |
mp-6644 | LiLa2RuO6 | 4 | false | -0.977365 | -0.191304 | -0.669214 | false | 1.696409 | -0.503064 | ['La', 'Li', 'O', 'Ru'] |
mp-6604 | Na2LiAlF6 | 4 | false | -1.602379 | 0.100548 | 3.984199 | true | -0.554263 | -0.601761 | ['Al', 'F', 'Li', 'Na'] |
mp-673059 | LiSbP2O7 | 4 | false | -0.554276 | 0.034037 | 1.897997 | true | -0.036897 | 0.332758 | ['Li', 'O', 'P', 'Sb'] |
mp-6726 | CsLiSO4 | 4 | false | -0.360013 | 0.335151 | 2.773212 | true | -0.318412 | 0.143717 | ['Cs', 'Li', 'O', 'S'] |
mp-673023 | LiBi(PO3)4 | 4 | false | -0.615732 | -0.023374 | 2.400538 | true | -0.110481 | 1.606944 | ['Bi', 'Li', 'O', 'P'] |
mp-6674 | LiLa2SbO6 | 4 | false | -1.194246 | -0.099208 | 1.821553 | true | 1.681726 | -0.468813 | ['La', 'Li', 'O', 'Sb'] |
mp-672979 | LiBiP2O7 | 4 | false | -0.6052 | 0.02691 | 2.138705 | true | 0.28831 | 0.550232 | ['Bi', 'Li', 'O', 'P'] |
mp-673073 | LiSbP2O7 | 4 | false | -0.55247 | 0.034513 | 1.836585 | true | -0.2513 | 0.481932 | ['Li', 'O', 'P', 'Sb'] |
mp-684090 | LiSbP2O7 | 4 | false | -0.545565 | 0.036334 | 1.604273 | true | -0.113752 | 0.38316 | ['Li', 'O', 'P', 'Sb'] |
mp-684497 | LiBi(PO3)4 | 4 | false | -0.614553 | -0.023063 | 2.345897 | true | -0.009691 | 1.492215 | ['Bi', 'Li', 'O', 'P'] |
mp-684119 | LiTi(PO3)5 | 4 | false | -0.808372 | -0.139697 | 0.126848 | true | -0.915213 | 2.382073 | ['Li', 'O', 'P', 'Ti'] |
mp-684489 | LiBiP2O7 | 4 | false | -0.589907 | 0.030943 | 2.207159 | true | 0.343348 | 0.515725 | ['Bi', 'Li', 'O', 'P'] |
mp-687200 | LiFe(PO3)5 | 4 | true | -0.495029 | -0.064637 | -0.865775 | false | -0.900709 | 2.413077 | ['Fe', 'Li', 'O', 'P'] |
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