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-1210949 | LiHo(SO4)2 | 4 | false | -0.465555 | 0.101436 | 3.040124 | true | -0.096937 | -0.269955 | ['Ho', 'Li', 'O', 'S'] |
mp-1210998 | LiTb(SO4)2 | 4 | false | -0.471511 | 0.098894 | 2.935986 | true | -0.190695 | -0.247419 | ['Li', 'O', 'S', 'Tb'] |
mp-1210992 | LiSm(SO4)2 | 4 | false | -0.468779 | 0.097663 | 2.831036 | true | -0.306807 | -0.220139 | ['Li', 'O', 'S', 'Sm'] |
mp-1211108 | LiGd(SO4)2 | 4 | false | -0.45787 | -0.125716 | 0.914244 | true | -0.246135 | -0.227898 | ['Gd', 'Li', 'O', 'S'] |
mp-1211171 | LiEr(SO4)2 | 4 | false | -0.465082 | 0.102286 | 3.031728 | true | -0.058105 | -0.279199 | ['Er', 'Li', 'O', 'S'] |
mp-621928 | LiEu(SO4)2 | 4 | false | -0.333248 | -0.001259 | -0.868213 | false | -0.423268 | -0.158366 | ['Eu', 'Li', 'O', 'S'] |
mp-1219554 | RbLiZnS2 | 4 | false | 0.712085 | 1.005481 | 0.841794 | true | -0.299861 | -0.915857 | ['Li', 'Rb', 'S', 'Zn'] |
mp-1219572 | RbLiMnS2 | 4 | true | 0.948885 | 0.609367 | -0.868213 | false | -0.175277 | -0.947455 | ['Li', 'Mn', 'Rb', 'S'] |
mp-1222299 | LiMgBN2 | 4 | false | 0.984718 | 0.237729 | 0.923655 | true | -1.309356 | -1.050785 | ['B', 'Li', 'Mg', 'N'] |
mp-1222361 | LiLaTa2O7 | 4 | false | -1.542035 | -0.588091 | 0.65627 | true | 1.876028 | -0.784763 | ['La', 'Li', 'O', 'Ta'] |
mp-1225887 | CsLiZnS2 | 4 | false | 0.711599 | 1.009564 | 0.825815 | true | -0.001235 | -0.893552 | ['Cs', 'Li', 'S', 'Zn'] |
mp-1225894 | CsLiMnS2 | 4 | true | 0.798412 | 0.573894 | -0.320239 | false | -0.163581 | -0.884022 | ['Cs', 'Li', 'Mn', 'S'] |
mp-1235194 | LiEu2CoO4 | 4 | true | -0.240671 | -0.316756 | -0.868213 | false | 2.300056 | -0.948773 | ['Co', 'Eu', 'Li', 'O'] |
mp-774479 | LiCa2Ta3O10 | 4 | false | -1.471089 | -0.499437 | 0.600883 | true | 1.553097 | -0.61431 | ['Ca', 'Li', 'O', 'Ta'] |
mp-753940 | KLiMnS2 | 4 | true | 0.81782 | 0.566049 | -0.437444 | false | -0.838528 | -0.921089 | ['K', 'Li', 'Mn', 'S'] |
mp-774907 | KLiZnS2 | 4 | false | 0.719042 | 0.998563 | 0.854456 | true | -0.664607 | -0.932773 | ['K', 'Li', 'S', 'Zn'] |
mp-861268 | LiLaNb2O7 | 4 | false | -1.329017 | -0.438768 | 0.069566 | true | 0.59531 | -0.779681 | ['La', 'Li', 'Nb', 'O'] |
mp-1077164 | LiTi(SO)2 | 4 | false | 0.803133 | 0.397651 | -0.868213 | false | -0.942315 | -0.929101 | ['Li', 'O', 'S', 'Ti'] |
mp-1176665 | LiMn2CoO6 | 4 | true | 0.230963 | -0.055746 | 0.078097 | true | 0.29697 | -0.927473 | ['Co', 'Li', 'Mn', 'O'] |
mp-1176748 | LiCu3(SiO3)2 | 4 | false | -0.158386 | 0.173308 | 0.215819 | true | 0.858802 | -0.905002 | ['Cu', 'Li', 'O', 'Si'] |
mp-1176746 | LiFe2(CoO4)2 | 4 | true | 0.683348 | 0.09639 | -0.868213 | false | 0.372846 | -0.832412 | ['Co', 'Fe', 'Li', 'O'] |
mp-1176740 | LiFe2OF3 | 4 | true | -0.441354 | 0.197997 | 0.778757 | true | -0.013438 | -0.252846 | ['F', 'Fe', 'Li', 'O'] |
mp-1176785 | LiCo3NiO8 | 4 | true | 0.889352 | 0.240586 | -0.822103 | false | 0.449767 | -0.836523 | ['Co', 'Li', 'Ni', 'O'] |
mp-1178142 | KLiSnO2 | 4 | false | 0.182638 | 0.603566 | 0.513132 | true | -0.176179 | -0.697043 | ['K', 'Li', 'O', 'Sn'] |
mp-1180514 | LiTi(SO)2 | 4 | false | 0.80421 | 0.397935 | -0.868213 | false | -0.838313 | -0.948338 | ['Li', 'O', 'S', 'Ti'] |
mp-1192746 | LiAs2H3O7 | 4 | false | 0.365508 | 0.383712 | 1.366883 | true | -0.213245 | -0.478553 | ['As', 'H', 'Li', 'O'] |
mp-1198595 | LiB6(H5O)2 | 4 | false | 1.481806 | 0.618802 | 2.749446 | true | -1.75625 | -0.267581 | ['B', 'H', 'Li', 'O'] |
mp-1222585 | LiCr(FeO2)4 | 4 | true | 0.151279 | -0.183493 | -0.86002 | false | 0.499055 | -0.80057 | ['Cr', 'Fe', 'Li', 'O'] |
mp-1222453 | LiLa4CuO8 | 4 | false | -1.277372 | -0.152199 | -0.853181 | false | 1.952975 | -0.695977 | ['Cu', 'La', 'Li', 'O'] |
mp-1222467 | LiAg3(IrO3)2 | 4 | false | 1.048257 | 0.417608 | -0.868213 | false | 3.190578 | -0.781691 | ['Ag', 'Ir', 'Li', 'O'] |
mp-1222577 | LiAlNi3O5 | 4 | true | 0.05505 | 0.168262 | 1.213385 | true | 1.075678 | -0.719101 | ['Al', 'Li', 'Ni', 'O'] |
mp-1222391 | LiV(FeO2)4 | 4 | true | 0.135611 | -0.17583 | -0.539144 | false | 0.471608 | -0.797676 | ['Fe', 'Li', 'O', 'V'] |
mp-1228761 | Ba4Li(IrO4)3 | 4 | false | -0.175448 | 0.107382 | -0.868213 | false | 2.641173 | 1.237647 | ['Ba', 'Ir', 'Li', 'O'] |
mp-1235052 | LiAl2V4O8 | 4 | false | -0.570853 | -0.262143 | -0.241492 | false | 0.373856 | -0.801204 | ['Al', 'Li', 'O', 'V'] |
mp-1235162 | Ba2LiMn2O6 | 4 | true | -0.431139 | 0.007056 | -0.330463 | false | 0.921262 | -0.782272 | ['Ba', 'Li', 'Mn', 'O'] |
mp-1235171 | LiZn2(FeO2)4 | 4 | true | 0.451445 | 0.151131 | -0.78256 | false | 0.967274 | -0.786767 | ['Fe', 'Li', 'O', 'Zn'] |
mp-1236205 | LiAl4Zn2O8 | 4 | false | -0.59399 | 0.240963 | -0.868213 | false | 0.339425 | -0.817304 | ['Al', 'Li', 'O', 'Zn'] |
mp-1236143 | LiNb2(PO5)2 | 4 | false | -0.894973 | -0.29158 | -0.868213 | false | 0.003905 | -0.708757 | ['Li', 'Nb', 'O', 'P'] |
mp-1235156 | Ba2Li(NiO3)2 | 4 | true | 0.176319 | 0.345668 | -0.535623 | false | 1.230896 | -0.813571 | ['Ba', 'Li', 'Ni', 'O'] |
mp-1236052 | LiCo5SbO8 | 4 | true | 0.608802 | 0.126932 | -0.236888 | false | 1.196092 | -0.760764 | ['Co', 'Li', 'O', 'Sb'] |
mp-1236682 | LiPrNdO2 | 4 | false | 0.211846 | 0.354623 | -0.868213 | false | 1.964134 | -1.005722 | ['Li', 'Nd', 'O', 'Pr'] |
mp-1235455 | LiEuYO2 | 4 | false | 0.127496 | -0.087384 | -0.868213 | false | 0.777975 | -0.965066 | ['Eu', 'Li', 'O', 'Y'] |
mp-1235099 | K4Li(CO3)2 | 4 | false | 0.106785 | 0.348755 | -0.868213 | false | -1.371297 | -0.439238 | ['C', 'K', 'Li', 'O'] |
mp-1235516 | LiY5(MoO6)2 | 4 | false | -1.371887 | -0.498961 | -0.789941 | false | 1.016959 | -0.478142 | ['Li', 'Mo', 'O', 'Y'] |
mp-1236275 | LiPrNdO2 | 4 | false | 0.205127 | 0.352851 | -0.868213 | false | 1.991029 | -1.007112 | ['Li', 'Nd', 'O', 'Pr'] |
mp-1236188 | LiTiFe5O8 | 4 | true | 0.14343 | -0.197927 | -0.863405 | false | 0.602893 | -0.761858 | ['Fe', 'Li', 'O', 'Ti'] |
mp-1236231 | LiZn2(FeO2)4 | 4 | true | 0.417039 | 0.142058 | 0.006596 | true | 0.85775 | -0.772084 | ['Fe', 'Li', 'O', 'Zn'] |
mp-1236377 | Ba3LiTi3O8 | 4 | false | -1.172522 | -0.1426 | -0.868213 | false | 1.074985 | -0.620077 | ['Ba', 'Li', 'O', 'Ti'] |
mp-1236499 | Ba2Li(NiO2)2 | 4 | true | 0.274653 | 0.415168 | -0.141959 | false | 1.034518 | -0.819011 | ['Ba', 'Li', 'Ni', 'O'] |
mp-1235175 | LiAl4Zn2O8 | 4 | false | -0.602282 | 0.238777 | -0.868213 | false | 0.334069 | -0.816511 | ['Al', 'Li', 'O', 'Zn'] |
mp-1235592 | LiY2(FeO2)4 | 4 | true | -0.249521 | -0.236811 | 0.458084 | true | 0.701975 | -0.702525 | ['Fe', 'Li', 'O', 'Y'] |
mp-1275142 | LiMn2O3F | 4 | true | -0.371301 | -0.092419 | -0.46534 | false | 0.077628 | -0.326287 | ['F', 'Li', 'Mn', 'O'] |
mp-1273818 | KLiNiO2 | 4 | true | 0.645899 | 0.622996 | 0.888514 | true | -0.298702 | -0.44437 | ['K', 'Li', 'Ni', 'O'] |
mp-1287546 | LiMnCo3O8 | 4 | true | 0.567254 | 0.08016 | -0.651745 | false | 0.382104 | -0.424432 | ['Co', 'Li', 'Mn', 'O'] |
mp-1301164 | LiCo3NiO8 | 4 | true | 0.829442 | 0.224786 | -0.791295 | false | 0.419113 | -0.426488 | ['Co', 'Li', 'Ni', 'O'] |
mp-1280709 | LiV3Zn2O8 | 4 | false | -0.380696 | -0.038576 | 0.064488 | true | 0.570722 | -0.366134 | ['Li', 'O', 'V', 'Zn'] |
mp-1296423 | LiMnCo3O8 | 4 | true | 0.565836 | 0.079786 | -0.323692 | false | 0.411656 | -0.432665 | ['Co', 'Li', 'Mn', 'O'] |
mp-1299391 | LiAlVO4 | 4 | false | -0.914808 | -0.133773 | 0.299982 | true | -0.152153 | -0.832916 | ['Al', 'Li', 'O', 'V'] |
mp-1311476 | LiCoSnO4 | 4 | true | 0.147907 | 0.216399 | -0.868213 | false | 0.865025 | -0.765455 | ['Co', 'Li', 'O', 'Sn'] |
mp-1314006 | LiVGaO4 | 4 | false | -0.440738 | 0.020992 | 0.279533 | true | 0.345633 | -0.807514 | ['Ga', 'Li', 'O', 'V'] |
mp-1308196 | LiCoSnO4 | 4 | true | 0.146899 | 0.216134 | -0.236414 | false | 0.860054 | -0.291365 | ['Co', 'Li', 'O', 'Sn'] |
mp-1308550 | LiCrCoO4 | 4 | true | 0.148808 | -0.017283 | -0.868213 | false | 0.272074 | -0.818583 | ['Co', 'Cr', 'Li', 'O'] |
mp-1309814 | LiTiCoO4 | 4 | true | -0.504678 | -0.116776 | -0.374271 | false | 0.156401 | -0.810315 | ['Co', 'Li', 'O', 'Ti'] |
mp-1568351 | LiCrP2O7 | 4 | false | -0.727944 | -0.157473 | 1.178921 | true | -0.31157 | 0.121729 | ['Cr', 'Li', 'O', 'P'] |
mp-1567478 | LiVP2O7 | 4 | false | -0.787184 | -0.158084 | 0.512455 | true | -0.475755 | 0.224877 | ['Li', 'O', 'P', 'V'] |
mp-26680 | LiNi2(PO4)3 | 4 | true | -0.000264 | 0.102597 | -0.868213 | false | -0.306615 | -0.045977 | ['Li', 'Ni', 'O', 'P'] |
mp-31600 | LiCo(PO3)4 | 4 | true | -0.455984 | -0.033525 | -0.242982 | false | -0.894501 | 0.278898 | ['Co', 'Li', 'O', 'P'] |
mp-26685 | LiNi(PO3)4 | 4 | true | -0.413465 | -0.000498 | -0.239258 | false | -0.837233 | 0.226013 | ['Li', 'Ni', 'O', 'P'] |
mp-26669 | LiCr(PO3)4 | 4 | false | -0.686907 | -0.135041 | 1.301272 | true | -0.937655 | 0.292234 | ['Cr', 'Li', 'O', 'P'] |
mp-25959 | LiBi(PO3)4 | 4 | false | -0.60029 | -0.019302 | 1.962728 | true | -0.360702 | 0.350079 | ['Bi', 'Li', 'O', 'P'] |
mp-31677 | LiCr2(PO4)3 | 4 | false | -0.495595 | -0.152893 | -0.868213 | false | -0.311338 | -0.082519 | ['Cr', 'Li', 'O', 'P'] |
mp-32023 | LiMn2(PO4)3 | 4 | true | -0.381004 | -0.106842 | -0.868213 | false | -0.260897 | -0.091655 | ['Li', 'Mn', 'O', 'P'] |
mp-32081 | LiMo2(PO4)3 | 4 | false | -0.500444 | -0.19262 | -0.277243 | false | -0.1069 | 0.053874 | ['Li', 'Mo', 'O', 'P'] |
mp-540331 | LiMn(PO3)4 | 4 | true | -0.623873 | -0.110502 | 0.194152 | true | -0.902702 | 0.270685 | ['Li', 'Mn', 'O', 'P'] |
mp-540356 | LiFe(PO3)4 | 4 | true | -0.59516 | -0.091775 | 0.84694 | true | -0.934965 | 0.305306 | ['Fe', 'Li', 'O', 'P'] |
mp-32502 | LiV(PO3)4 | 4 | false | -0.731352 | -0.137588 | 0.651192 | true | -0.943107 | 0.293241 | ['Li', 'O', 'P', 'V'] |
mp-549671 | KLiMnO2 | 4 | true | 0.135629 | 0.292174 | -0.868213 | false | -0.428618 | -0.417965 | ['K', 'Li', 'Mn', 'O'] |
mp-551092 | KLiZnO2 | 4 | false | 0.180881 | 0.762673 | 0.660671 | true | -0.131926 | -0.850978 | ['K', 'Li', 'O', 'Zn'] |
mp-558369 | K2LiVO4 | 4 | false | -0.442636 | 0.223441 | 1.823991 | true | -0.765404 | -0.501947 | ['K', 'Li', 'O', 'V'] |
mp-568385 | SrLiGaN2 | 4 | false | 1.371275 | 0.547963 | 0.636363 | true | 0.686324 | -0.079802 | ['Ga', 'Li', 'N', 'Sr'] |
mp-642650 | LiP(HO)2 | 4 | false | 0.327102 | 0.463915 | 2.731503 | true | -1.531142 | -0.766244 | ['H', 'Li', 'O', 'P'] |
mp-684082 | LiSb(PO3)4 | 4 | false | -0.547753 | -0.009298 | 1.883981 | true | -0.79421 | 0.425238 | ['Li', 'O', 'P', 'Sb'] |
mp-699352 | LiFe2(PO4)3 | 4 | true | -0.233435 | -0.045615 | -0.868213 | false | -0.343973 | -0.042289 | ['Fe', 'Li', 'O', 'P'] |
mp-752775 | LiFe2OF3 | 4 | true | -0.294171 | 0.236813 | -0.517612 | false | 0.06945 | -0.761334 | ['F', 'Fe', 'Li', 'O'] |
mp-752618 | LiTi2VO6 | 4 | false | -1.178707 | -0.410613 | 0.209183 | true | -0.046409 | -0.587826 | ['Li', 'O', 'Ti', 'V'] |
mp-753463 | LiV2O2F3 | 4 | false | -0.99404 | -0.018701 | 0.053857 | true | -0.318222 | -0.658828 | ['F', 'Li', 'O', 'V'] |
mp-753249 | LiVPO5 | 4 | false | -0.669473 | -0.130182 | 0.261184 | true | -0.826417 | -0.594309 | ['Li', 'O', 'P', 'V'] |
mp-753408 | KLiCoO2 | 4 | true | 0.428611 | 0.48716 | 0.254075 | true | -0.225134 | -0.85337 | ['Co', 'K', 'Li', 'O'] |
mp-753487 | LiCo(CO3)2 | 4 | true | 0.301028 | -0.041136 | -0.868213 | false | -0.781078 | -0.893043 | ['C', 'Co', 'Li', 'O'] |
mp-754709 | LiTiV3O8 | 4 | false | -0.686896 | -0.352927 | -0.777076 | false | -0.025082 | -0.804693 | ['Li', 'O', 'Ti', 'V'] |
mp-754504 | LiMn3CrO8 | 4 | true | -0.002634 | -0.216925 | -0.33852 | false | 0.075293 | -0.80152 | ['Cr', 'Li', 'Mn', 'O'] |
mp-755069 | LiAl2FeO6 | 4 | true | -0.461602 | 0.037137 | -0.321322 | false | -0.263099 | -0.934276 | ['Al', 'Fe', 'Li', 'O'] |
mp-756072 | LiCr(CoO3)2 | 4 | true | 0.399918 | 0.033424 | -0.868213 | false | 0.359719 | -0.933091 | ['Co', 'Cr', 'Li', 'O'] |
mp-756531 | LiNd6(CuO6)2 | 4 | false | -1.187754 | -0.12978 | -0.813097 | false | 2.00472 | -0.391342 | ['Cu', 'Li', 'Nd', 'O'] |
mp-755862 | LiMnCo3O8 | 4 | true | 0.576758 | 0.082666 | -0.505966 | false | 0.337513 | -0.411686 | ['Co', 'Li', 'Mn', 'O'] |
mp-757639 | LiTi(PO3)4 | 4 | false | -0.810994 | -0.139436 | -0.75094 | false | -0.979927 | 0.317214 | ['Li', 'O', 'P', 'Ti'] |
mp-757995 | LiP4WO12 | 4 | false | -0.5878 | -0.162179 | 0.148989 | true | -0.486296 | 0.368947 | ['Li', 'O', 'P', 'W'] |
mp-757424 | LiMn3NiO8 | 4 | true | 0.30652 | -0.048952 | -0.746877 | false | 0.212915 | -0.815702 | ['Li', 'Mn', 'Ni', 'O'] |
mp-757575 | LiV(PO3)4 | 4 | false | -0.684639 | -0.125269 | 0.848633 | true | -0.832474 | 0.192192 | ['Li', 'O', 'P', 'V'] |
mp-757569 | LiSn(PO3)4 | 4 | false | -0.539632 | -0.005231 | -0.868213 | false | -0.785858 | 0.40582 | ['Li', 'O', 'P', 'Sn'] |
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