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-771057 | Li(FeO2)2 | 3 | true | 0.428032 | 0.049991 | -0.868213 | false | 0.521069 | -0.464749 | ['Fe', 'Li', 'O'] |
mp-772581 | LiCr6O11 | 3 | false | -0.195871 | -0.35461 | -0.868213 | false | 0.384356 | -0.140705 | ['Cr', 'Li', 'O'] |
mp-9575 | LiBeSb | 3 | false | 1.832681 | 1.076461 | -0.27704 | false | 0.480903 | -0.942636 | ['Be', 'Li', 'Sb'] |
mp-984635 | LiErSn | 3 | false | 1.473118 | 0.913075 | -0.868213 | false | 2.322311 | 0.317792 | ['Er', 'Li', 'Sn'] |
mp-9919 | LiZnSb | 3 | false | 1.675079 | -1.598317 | -0.593515 | false | 1.040367 | -0.88727 | ['Li', 'Sb', 'Zn'] |
mp-1026396 | KLiMg14 | 3 | false | 2.301392 | 0.93478 | -0.868213 | false | -1.418489 | -0.101818 | ['K', 'Li', 'Mg'] |
mp-1026633 | LiMg14Ti | 3 | false | 2.250482 | 1.540533 | -0.868213 | false | -1.268062 | -0.216886 | ['Li', 'Mg', 'Ti'] |
mp-1026794 | LiMg14Mo | 3 | false | 2.311553 | 1.50314 | -0.868213 | false | -1.073567 | -0.247821 | ['Li', 'Mg', 'Mo'] |
mp-1026799 | LiMg14Cd | 3 | false | 2.178427 | 1.6473 | -0.868213 | false | -1.091873 | -0.197746 | ['Cd', 'Li', 'Mg'] |
mp-1026816 | LiMg14Cr | 3 | false | 2.276046 | 1.515403 | -0.868213 | false | -1.250828 | -0.220346 | ['Cr', 'Li', 'Mg'] |
mp-1026784 | LiMg14Sb | 3 | false | 2.154853 | 1.583615 | -0.868213 | false | -1.083043 | -0.183156 | ['Li', 'Mg', 'Sb'] |
mp-1026795 | LiMg14W | 3 | false | 2.351718 | 0.125674 | -0.868213 | false | -0.786004 | -0.249442 | ['Li', 'Mg', 'W'] |
mp-1026776 | LiMg14Ga | 3 | false | 2.171188 | 1.607887 | -0.868213 | false | -1.205031 | -0.212481 | ['Ga', 'Li', 'Mg'] |
mp-1026790 | LiMg14Bi | 3 | false | 2.183681 | 1.595552 | -0.868213 | false | -0.846553 | -0.164923 | ['Bi', 'Li', 'Mg'] |
mp-1026818 | SrLiMg14 | 3 | false | 2.226064 | 0.749396 | -0.868213 | false | -1.278921 | -0.104204 | ['Li', 'Mg', 'Sr'] |
mp-1026819 | BaLiMg14 | 3 | false | 2.278524 | 1.656308 | -0.868213 | false | -1.175899 | -0.072219 | ['Ba', 'Li', 'Mg'] |
mp-1026769 | LiHfMg14 | 3 | false | 2.246221 | 1.502022 | -0.868213 | false | -0.88404 | -0.200357 | ['Hf', 'Li', 'Mg'] |
mp-1026782 | LiMg14C | 3 | false | 2.496077 | 1.581127 | -0.868213 | false | -1.32481 | -0.265078 | ['C', 'Li', 'Mg'] |
mp-1026801 | LiMg14B | 3 | false | 2.375567 | 0.930258 | -0.868213 | false | -1.341613 | -0.25437 | ['B', 'Li', 'Mg'] |
mp-1026837 | LiLaMg14 | 3 | false | 2.214981 | 1.584838 | -0.868213 | false | -1.121444 | -0.114324 | ['La', 'Li', 'Mg'] |
mp-1026823 | CsLiMg14 | 3 | false | 2.390355 | 0.612056 | -0.868213 | false | -1.195666 | -0.065472 | ['Cs', 'Li', 'Mg'] |
mp-1026820 | LiMg14Nb | 3 | false | 2.27552 | 1.507135 | -0.868213 | false | -1.116254 | -0.224458 | ['Li', 'Mg', 'Nb'] |
mp-1026839 | NaLiMg14 | 3 | false | 2.222942 | 0.958594 | -0.868213 | false | -1.395023 | -0.172138 | ['Li', 'Mg', 'Na'] |
mp-1026842 | LiMg14Si | 3 | false | 2.222018 | 1.577821 | -0.868213 | false | -1.323073 | -0.223024 | ['Li', 'Mg', 'Si'] |
mp-1026850 | RbLiMg14 | 3 | false | 2.352102 | 1.69273 | -0.868213 | false | -1.304094 | -0.086245 | ['Li', 'Mg', 'Rb'] |
mp-1026862 | LiCeMg14 | 3 | false | 2.207224 | 0.459811 | -0.868213 | false | -1.09167 | -0.135191 | ['Ce', 'Li', 'Mg'] |
mp-1027718 | LiMg14Co | 3 | true | 2.266462 | 0.794712 | -0.868213 | false | -1.178874 | -0.25867 | ['Co', 'Li', 'Mg'] |
mp-1027823 | LiMg14Cu | 3 | false | 2.206541 | 0.822204 | -0.868213 | false | -1.183809 | -0.243857 | ['Cu', 'Li', 'Mg'] |
mp-1027898 | LiMg14Fe | 3 | true | 2.321862 | 1.548939 | -0.868213 | false | -1.177432 | -0.267171 | ['Fe', 'Li', 'Mg'] |
mp-1027955 | LiMg14Zn | 3 | false | 2.190947 | 1.645166 | -0.868213 | false | -1.203929 | -0.223951 | ['Li', 'Mg', 'Zn'] |
mp-1027929 | LiMg14Zr | 3 | false | 2.218906 | 1.520378 | -0.868213 | false | -1.165581 | -0.191257 | ['Li', 'Mg', 'Zr'] |
mp-1028045 | LiYMg14 | 3 | false | 2.197475 | 1.551695 | -0.868213 | false | -1.226553 | -0.147288 | ['Li', 'Mg', 'Y'] |
mp-1028092 | LiMg14Mn | 3 | true | 2.254735 | 1.518687 | -0.868213 | false | -1.233303 | -0.226929 | ['Li', 'Mg', 'Mn'] |
mp-1028177 | LiCaMg14 | 3 | false | 2.206529 | 1.63575 | -0.868213 | false | -1.37943 | -0.138326 | ['Ca', 'Li', 'Mg'] |
mp-1028208 | LiMg14Al | 3 | false | 2.194409 | 1.601 | -0.868213 | false | -1.343106 | -0.208621 | ['Al', 'Li', 'Mg'] |
mp-1028265 | LiMg14Sn | 3 | false | 2.164083 | 1.588215 | -0.868213 | false | -1.083905 | -0.189383 | ['Li', 'Mg', 'Sn'] |
mp-1028313 | LiMg14V | 3 | false | 2.285136 | 1.528121 | -0.868213 | false | -1.253946 | -0.220513 | ['Li', 'Mg', 'V'] |
mp-10614 | SrLiP | 3 | false | 1.010771 | -0.760978 | -0.319832 | false | -0.461473 | -1.041472 | ['Li', 'P', 'Sr'] |
mp-10616 | BaLiAs | 3 | false | 1.137878 | 1.016952 | -0.46683 | false | 0.460229 | -1.001337 | ['As', 'Ba', 'Li'] |
mp-10615 | BaLiP | 3 | false | 1.207824 | 0.963311 | -0.395464 | false | 0.037306 | -1.017373 | ['Ba', 'Li', 'P'] |
mp-1028381 | LiMg14Ni | 3 | true | 2.21831 | 1.570409 | -0.868213 | false | -1.180442 | -0.258094 | ['Li', 'Mg', 'Ni'] |
mp-11743 | LiYGa4 | 3 | false | 1.628078 | 0.975317 | -0.868213 | false | 1.25501 | -0.918768 | ['Ga', 'Li', 'Y'] |
mp-1206734 | LiInPt | 3 | false | 1.51208 | -5.456686 | -0.868213 | false | 4.543716 | -1.094029 | ['In', 'Li', 'Pt'] |
mp-1206725 | LiAlPd | 3 | false | 1.558826 | -1.152712 | -0.868213 | false | 1.188801 | -1.116397 | ['Al', 'Li', 'Pd'] |
mp-1207231 | LiInIr | 3 | false | 1.899242 | -5.438882 | -0.868213 | false | 4.76654 | -1.099707 | ['In', 'Ir', 'Li'] |
mp-1208612 | SrLiSi | 3 | false | 1.921793 | 1.172564 | -0.868213 | false | -0.665232 | -1.024763 | ['Li', 'Si', 'Sr'] |
mp-1222406 | LiZr2Pb | 3 | false | 2.345449 | 0.509497 | -0.868213 | false | 2.147252 | -0.964913 | ['Li', 'Pb', 'Zr'] |
mp-1245817 | LiFeN | 3 | true | 1.877233 | 0.223582 | -0.868213 | false | -0.039695 | -1.138386 | ['Fe', 'Li', 'N'] |
mp-1245579 | LiCdN | 3 | false | 2.298994 | -0.913134 | -0.868213 | false | 0.550013 | -1.098297 | ['Cd', 'Li', 'N'] |
mp-1245812 | LiInN | 3 | false | 2.231065 | -1.170286 | -0.868213 | false | 0.584869 | -1.097377 | ['In', 'Li', 'N'] |
mp-1245578 | LiPtN | 3 | false | 1.90062 | -4.053404 | -0.868213 | false | 2.730939 | -1.10589 | ['Li', 'N', 'Pt'] |
mp-20998 | LiCaPb | 3 | false | 1.649577 | 1.236127 | -0.868213 | false | 1.131194 | -0.566047 | ['Ca', 'Li', 'Pb'] |
mp-1246462 | LiCoN | 3 | true | 1.954024 | 0.373105 | -0.868213 | false | 0.051323 | -1.138063 | ['Co', 'Li', 'N'] |
mp-21242 | LiYbPb | 3 | false | 1.56291 | -7.25653 | -0.868213 | false | 3.787838 | -0.646384 | ['Li', 'Pb', 'Yb'] |
mp-1245984 | LiSnN | 3 | false | 2.153054 | 0.72772 | -0.868213 | false | 0.684122 | -1.097843 | ['Li', 'N', 'Sn'] |
mp-1246045 | LiPbN | 3 | false | 2.38686 | 0.818099 | -0.868213 | false | 2.229235 | -1.083683 | ['Li', 'N', 'Pb'] |
mp-29719 | LiNiN | 3 | true | 2.006855 | -0.20453 | -0.868213 | false | -0.237287 | -1.125687 | ['Li', 'N', 'Ni'] |
mp-29868 | LiAuC2 | 3 | false | 2.422158 | 0.462764 | 0.169167 | true | 1.213381 | -1.041718 | ['Au', 'C', 'Li'] |
mp-2479693 | LiCaSn | 3 | false | 1.554554 | 1.182349 | -0.868213 | false | -0.083311 | -0.58063 | ['Ca', 'Li', 'Sn'] |
mp-8864 | Li(Co3P2)2 | 3 | true | 1.475836 | 0.177295 | -0.868213 | false | 1.95463 | -0.889988 | ['Co', 'Li', 'P'] |
mp-758594 | Li(Fe3P2)2 | 3 | true | 1.598276 | -0.001949 | -0.868213 | false | 1.603117 | -0.874682 | ['Fe', 'Li', 'P'] |
mp-571454 | LiAgC2 | 3 | false | 2.589637 | 0.538193 | 0.1129 | true | -0.258104 | -1.040292 | ['Ag', 'C', 'Li'] |
mp-569788 | LiZnGe | 3 | false | 1.897022 | 1.285473 | -0.868213 | false | 0.834069 | -0.820758 | ['Ge', 'Li', 'Zn'] |
mp-9950 | BaLiSi | 3 | false | 1.996081 | 1.170245 | -0.868213 | false | -0.223727 | -0.996211 | ['Ba', 'Li', 'Si'] |
mp-28835 | LiScI3 | 3 | false | 0.688964 | 0.976897 | -0.868213 | false | 0.442266 | -0.297677 | ['I', 'Li', 'Sc'] |
mp-1078961 | LiTbGe | 3 | false | 1.387182 | 0.824296 | -0.868213 | false | 1.809298 | -0.706603 | ['Ge', 'Li', 'Tb'] |
mp-1079394 | LiDyGe | 3 | false | 1.390375 | 0.827023 | -0.868213 | false | 1.930756 | -0.713395 | ['Dy', 'Ge', 'Li'] |
mp-1205941 | LiTmGe | 3 | false | 1.398877 | 0.842406 | -0.868213 | false | 2.237283 | -0.734238 | ['Ge', 'Li', 'Tm'] |
mp-1205878 | LiLuGe | 3 | false | 1.411724 | 0.842004 | -0.868213 | false | 2.464649 | -0.745599 | ['Ge', 'Li', 'Lu'] |
mp-14208 | LiYSi | 3 | false | 1.538902 | 0.605737 | -0.868213 | false | -0.226342 | -0.715647 | ['Li', 'Si', 'Y'] |
mp-15820 | LiHoGe | 3 | false | 1.392809 | 0.829666 | -0.868213 | false | 2.036417 | -0.720447 | ['Ge', 'Ho', 'Li'] |
mp-15821 | LiNdGe | 3 | false | 1.419738 | 0.820281 | -0.868213 | false | 1.19266 | -0.656233 | ['Ge', 'Li', 'Nd'] |
mp-15822 | LiSmGe | 3 | false | 1.401711 | 0.82032 | -0.868213 | false | 1.443951 | -0.67833 | ['Ge', 'Li', 'Sm'] |
mp-14209 | LiYGe | 3 | false | 1.380572 | 0.641575 | -0.868213 | false | 0.541385 | -0.706579 | ['Ge', 'Li', 'Y'] |
mp-13474 | LiErGe | 3 | false | 1.389747 | 0.831756 | -0.868213 | false | 2.144321 | -0.727636 | ['Er', 'Ge', 'Li'] |
mp-14210 | LiGdGe | 3 | false | 1.389037 | -0.088044 | -0.868213 | false | 1.672568 | -0.693078 | ['Gd', 'Ge', 'Li'] |
mp-28613 | LiBPt3 | 3 | false | 1.549694 | -7.580774 | -0.868213 | false | 7.187555 | -0.639651 | ['B', 'Li', 'Pt'] |
mp-8481 | LiPrGe | 3 | false | 1.436733 | 0.82212 | -0.868213 | false | 1.055481 | -0.642841 | ['Ge', 'Li', 'Pr'] |
mp-8482 | LiYbGe | 3 | false | 1.281141 | -3.228815 | -0.868213 | false | 2.369894 | -0.739835 | ['Ge', 'Li', 'Yb'] |
mp-1106045 | LiH2N | 3 | false | 1.582973 | 0.72038 | 1.089341 | true | -1.688142 | -0.879214 | ['H', 'Li', 'N'] |
mp-1211104 | LiSeO3 | 3 | false | 0.593935 | 0.520369 | -0.508945 | false | -0.759233 | -0.256234 | ['Li', 'O', 'Se'] |
mp-753289 | LiVF5 | 3 | false | -1.193561 | 0.371687 | 0.440953 | true | -0.837384 | -0.064675 | ['F', 'Li', 'V'] |
mp-759658 | LiAgF2 | 3 | false | -0.141017 | -0.674154 | 0.25658 | true | 0.808033 | -0.647023 | ['Ag', 'F', 'Li'] |
mp-767597 | LiMnF5 | 3 | true | -0.771438 | 0.479775 | 0.507715 | true | -0.611594 | -0.177282 | ['F', 'Li', 'Mn'] |
mp-756016 | LiVF4 | 3 | false | -1.298591 | 0.294489 | 0.779569 | true | -0.626822 | -0.325465 | ['F', 'Li', 'V'] |
mp-764980 | LiMnF5 | 3 | true | -0.761162 | 0.482485 | 0.682677 | true | -0.666995 | -0.145377 | ['F', 'Li', 'Mn'] |
mp-777252 | LiFeF4 | 3 | true | -0.862967 | 0.439062 | 1.437233 | true | -0.403003 | -0.39258 | ['F', 'Fe', 'Li'] |
mp-1180456 | LiVO2 | 3 | false | 0.706251 | 0.209808 | -0.868213 | false | -1.120002 | -1.030573 | ['Li', 'O', 'V'] |
mp-15949 | Li(NiGe)6 | 3 | true | 1.820857 | 0.583229 | -0.868213 | false | 2.738308 | 0.219841 | ['Ge', 'Li', 'Ni'] |
mp-15950 | Li(SiNi)6 | 3 | true | 1.679251 | 0.438445 | -0.868213 | false | 1.242684 | 0.115303 | ['Li', 'Ni', 'Si'] |
mp-4107 | Li(CoGe)6 | 3 | true | 1.896253 | 0.421889 | -0.868213 | false | 2.88855 | -0.764825 | ['Co', 'Ge', 'Li'] |
mp-632864 | LiNiO2 | 3 | true | 1.511815 | 0.661903 | -0.868213 | false | -0.853107 | -1.049011 | ['Li', 'Ni', 'O'] |
mp-652399 | Li(FeGe)6 | 3 | true | 1.963049 | 0.260515 | -0.868213 | false | 2.381828 | 0.292478 | ['Fe', 'Ge', 'Li'] |
mp-7149 | Na2LiN | 3 | false | 2.150179 | 1.167869 | -0.868213 | false | -1.408613 | -1.043049 | ['Li', 'N', 'Na'] |
mp-1180557 | LiTb5Sn3 | 3 | false | 1.535783 | 0.746862 | -0.868213 | false | 2.718788 | 0.18268 | ['Li', 'Sn', 'Tb'] |
mp-1018785 | LiFeAs | 3 | true | 2.26834 | 0.681497 | -0.868213 | false | 1.084107 | -0.992255 | ['As', 'Fe', 'Li'] |
mp-1025063 | LiAlPt | 3 | false | 1.297552 | -3.980656 | -0.868213 | false | 3.746818 | -1.003278 | ['Al', 'Li', 'Pt'] |
mp-1025455 | LiNb2O | 3 | false | 1.374618 | -0.061531 | -0.868213 | false | 1.349273 | -0.891012 | ['Li', 'Nb', 'O'] |
mp-1025496 | LiNbSe2 | 3 | false | 0.811219 | -2.290794 | -0.372646 | false | 1.398635 | -0.81492 | ['Li', 'Nb', 'Se'] |
mp-10485 | BaLiSb | 3 | false | 1.061725 | 1.049203 | -0.397834 | false | 0.533878 | -0.677229 | ['Ba', 'Li', 'Sb'] |
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