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-758667 | LiNi6O6F | 4 | true | 0.588087 | 0.280596 | 0.662499 | true | 1.497149 | -0.85851 | ['F', 'Li', 'Ni', 'O'] |
mp-1020031 | LiCaAlN2 | 4 | false | 0.871659 | 0.356391 | 1.013912 | true | -0.56427 | -0.56505 | ['Al', 'Ca', 'Li', 'N'] |
mp-1020030 | LiAl(GeO3)2 | 4 | false | -0.583401 | 0.091176 | 1.559991 | true | 0.29045 | 0.023274 | ['Al', 'Ge', 'Li', 'O'] |
mp-10499 | LiZr2(PO4)3 | 4 | false | -1.316893 | -0.333858 | 2.011682 | true | -0.357209 | 1.590229 | ['Li', 'O', 'P', 'Zr'] |
mp-1101530 | LiMnP2O7 | 4 | true | -0.644473 | -0.122507 | 0.011335 | true | -0.575069 | 0.326522 | ['Li', 'Mn', 'O', 'P'] |
mp-1101517 | LiNi(PO3)5 | 4 | true | -0.353591 | 0.00814 | -0.868213 | false | -0.856462 | 2.337438 | ['Li', 'Ni', 'O', 'P'] |
mp-1101512 | LiFeP2O7 | 4 | true | -0.591907 | -0.090391 | 0.896571 | true | -0.551951 | 0.313986 | ['Fe', 'Li', 'O', 'P'] |
mp-1101506 | LiMoP2O7 | 4 | false | -0.656877 | -0.170188 | 1.792235 | true | -0.401729 | 0.447491 | ['Li', 'Mo', 'O', 'P'] |
mp-1101520 | LiCrP2O7 | 4 | false | -0.756519 | -0.165009 | 1.095232 | true | -0.43052 | 0.199549 | ['Cr', 'Li', 'O', 'P'] |
mp-1101538 | LiMn(PO3)5 | 4 | true | -0.534374 | -0.08414 | -0.865504 | false | -0.88876 | 2.378968 | ['Li', 'Mn', 'O', 'P'] |
mp-10814 | SrLiBO3 | 4 | false | -1.128019 | 0.026289 | 2.083183 | true | -0.081335 | -0.427494 | ['B', 'Li', 'O', 'Sr'] |
mp-1176508 | LiVSiO4 | 4 | false | -0.865585 | -0.190416 | 0.751334 | true | -0.215807 | -0.39901 | ['Li', 'O', 'Si', 'V'] |
mp-1176645 | LiMnBO3 | 4 | true | -0.528637 | -0.176851 | 0.693781 | true | -0.58615 | -0.432774 | ['B', 'Li', 'Mn', 'O'] |
mp-1176597 | LiV2(SO4)3 | 4 | false | -0.15962 | 0.01582 | -0.526144 | false | -0.60945 | 1.443681 | ['Li', 'O', 'S', 'V'] |
mp-1176703 | LiFePO4 | 4 | true | -0.478711 | -0.062534 | 1.46039 | true | -0.327781 | 0.617955 | ['Fe', 'Li', 'O', 'P'] |
mp-1176775 | LiCu2C2O7 | 4 | false | 0.523931 | 0.14881 | -0.859004 | false | -0.254667 | 0.298975 | ['C', 'Cu', 'Li', 'O'] |
mp-1180600 | LiMg(AlH4)3 | 4 | false | 1.963226 | 1.108957 | 2.539343 | true | -1.893746 | 1.3536 | ['Al', 'H', 'Li', 'Mg'] |
mp-1180540 | LiSc(SiO3)2 | 4 | false | -1.502973 | -0.272956 | 2.488561 | true | -0.517255 | 0.07651 | ['Li', 'O', 'Sc', 'Si'] |
mp-1181036 | LiP3N2O11 | 4 | false | 0.090949 | 0.039304 | -0.020556 | false | -1.205358 | 1.752704 | ['Li', 'N', 'O', 'P'] |
mp-11903 | LiEu2IrO6 | 4 | false | -0.497498 | -0.362679 | -0.868213 | false | 2.905147 | -0.528209 | ['Eu', 'Ir', 'Li', 'O'] |
mp-11905 | LiNd2IrO6 | 4 | false | -0.817817 | -0.126836 | -0.868213 | false | 2.717434 | -0.521671 | ['Ir', 'Li', 'Nd', 'O'] |
mp-11906 | LiPr2IrO6 | 4 | false | -0.798077 | -0.123215 | -0.868213 | false | 2.591062 | -0.512307 | ['Ir', 'Li', 'O', 'Pr'] |
mp-1190023 | LiLa2ReO6 | 4 | false | -1.148351 | -0.328482 | -0.868213 | false | 2.415366 | -0.499458 | ['La', 'Li', 'O', 'Re'] |
mp-11904 | LiSm2IrO6 | 4 | false | -0.845111 | -0.131158 | -0.868213 | false | 3.108253 | -0.557543 | ['Ir', 'Li', 'O', 'Sm'] |
mp-1191481 | LiEuAsS3 | 4 | false | 0.681747 | 0.302522 | -0.832665 | false | 0.290806 | 0.274371 | ['As', 'Eu', 'Li', 'S'] |
mp-1192570 | LiFeSiO4 | 4 | true | -0.556989 | -0.083586 | 1.031381 | true | -0.489767 | -0.254006 | ['Fe', 'Li', 'O', 'Si'] |
mp-1194740 | LiSc(GeO3)2 | 4 | false | -0.750169 | -0.027864 | 1.573329 | true | 0.152048 | 0.175552 | ['Ge', 'Li', 'O', 'Sc'] |
mp-1194702 | LiB(H3N)3 | 4 | false | 1.784923 | 0.679792 | 1.898674 | true | -1.856913 | 0.116377 | ['B', 'H', 'Li', 'N'] |
mp-1194722 | KLiTmF5 | 4 | false | -2.032419 | 0.382845 | 4.129369 | false | 0.621036 | 0.032579 | ['F', 'K', 'Li', 'Tm'] |
mp-1194674 | LiGa(H2N)4 | 4 | false | 1.607926 | 0.60634 | 1.27385 | true | -1.484595 | 0.524827 | ['Ga', 'H', 'Li', 'N'] |
mp-1195827 | SrLiAlF6 | 4 | false | -2.091252 | 0.380177 | 4.090368 | false | -0.181711 | 0.060478 | ['Al', 'F', 'Li', 'Sr'] |
mp-1196153 | KLiYF5 | 4 | false | -1.992 | 0.320004 | 3.890015 | true | -0.29576 | 1.428051 | ['F', 'K', 'Li', 'Y'] |
mp-1196441 | LiB2H11N2 | 4 | false | 1.749104 | 0.743503 | 2.184748 | true | -1.963628 | 0.353613 | ['B', 'H', 'Li', 'N'] |
mp-1196875 | LiH4CN3 | 4 | false | 1.634758 | 0.36656 | 1.989541 | true | -1.5429 | -0.374835 | ['C', 'H', 'Li', 'N'] |
mp-1197059 | LiSn(H2N)3 | 4 | false | 1.696181 | 0.632829 | 1.082502 | true | -1.265885 | 0.554934 | ['H', 'Li', 'N', 'Sn'] |
mp-1198004 | LiSNO4 | 4 | false | 1.264157 | 0.455507 | -0.868213 | false | -1.36878 | 1.395313 | ['Li', 'N', 'O', 'S'] |
mp-1198410 | LiCeS2O9 | 4 | false | -0.308008 | 0.103779 | -0.625203 | false | -0.224245 | 0.756624 | ['Ce', 'Li', 'O', 'S'] |
mp-11992 | LiLa2IrO6 | 4 | false | -0.881207 | -0.153294 | -0.868213 | false | 2.489341 | -0.502676 | ['Ir', 'La', 'Li', 'O'] |
mp-1200061 | LiB6H21N5 | 4 | false | 1.721344 | 0.630126 | 1.9739 | true | -2.00322 | 2.896643 | ['B', 'H', 'Li', 'N'] |
mp-1200222 | K2LiP3O10 | 4 | false | -0.448057 | 0.153049 | -0.467236 | false | -0.993949 | 1.624904 | ['K', 'Li', 'O', 'P'] |
mp-1202217 | RbLiSO4 | 4 | false | -0.356853 | 0.332977 | 2.621204 | true | -0.477935 | 1.143247 | ['Li', 'O', 'Rb', 'S'] |
mp-1202818 | LiZr2(AsO4)3 | 4 | false | -0.585793 | -0.105003 | 1.761698 | true | -0.130456 | 2.031869 | ['As', 'Li', 'O', 'Zr'] |
mp-1203059 | LiAs3H2O9 | 4 | false | 0.347161 | 0.329651 | 1.035715 | true | -0.220909 | 0.880091 | ['As', 'H', 'Li', 'O'] |
mp-1203666 | LiBH6O | 4 | false | 1.453558 | 0.828975 | 3.487887 | true | -2.016798 | -0.200776 | ['B', 'H', 'Li', 'O'] |
mp-1204247 | LiC4OF9 | 4 | false | 0.1169 | 0.389724 | 3.244607 | true | -1.067735 | 7.378651 | ['C', 'F', 'Li', 'O'] |
mp-1204749 | LiAl(H3C)4 | 4 | false | 1.952271 | 0.710706 | 2.152518 | true | -1.998885 | 1.127491 | ['Al', 'C', 'H', 'Li'] |
mp-1204713 | LiZn(BH4)3 | 4 | false | 1.905797 | 0.94992 | 2.432565 | true | -1.73146 | 2.619144 | ['B', 'H', 'Li', 'Zn'] |
mp-1208810 | Sr2LiTeO6 | 4 | false | -0.463657 | 0.310292 | -0.868213 | false | 0.868132 | -0.467247 | ['Li', 'O', 'Sr', 'Te'] |
mp-1211045 | LiGd2RuO6 | 4 | false | -0.900431 | -0.70141 | -0.757372 | false | 2.303084 | -0.546819 | ['Gd', 'Li', 'O', 'Ru'] |
mp-1211079 | LiTb6B3O14 | 4 | false | -1.780791 | -0.370092 | 2.320505 | true | 2.060918 | 2.17886 | ['B', 'Li', 'O', 'Tb'] |
mp-1211106 | LiPr2RuO6 | 4 | false | -0.893942 | -0.161147 | -0.664068 | false | 1.796841 | -0.514243 | ['Li', 'O', 'Pr', 'Ru'] |
mp-1211115 | LiCa2TeO6 | 4 | false | -0.462064 | 0.292539 | -0.868213 | false | 0.256692 | -0.517399 | ['Ca', 'Li', 'O', 'Te'] |
mp-1210924 | LiTb2RuO6 | 4 | false | -0.980256 | -0.174765 | -0.813097 | false | 2.442307 | -0.561915 | ['Li', 'O', 'Ru', 'Tb'] |
mp-1211080 | LiNd2RuO6 | 4 | false | -0.913707 | -0.164774 | -0.580718 | false | 1.927591 | -0.525932 | ['Li', 'Nd', 'O', 'Ru'] |
mp-1210901 | LiLa2TiO6 | 4 | false | -1.514786 | -0.293028 | -0.868213 | false | 1.286128 | -0.513542 | ['La', 'Li', 'O', 'Ti'] |
mp-1210954 | LiSm2RuO6 | 4 | false | -0.940841 | -0.169054 | -0.597442 | false | 2.137475 | -0.541207 | ['Li', 'O', 'Ru', 'Sm'] |
mp-1210974 | LiH2CN5 | 4 | false | 1.758097 | 0.08037 | 1.97654 | true | -1.390712 | -0.194021 | ['C', 'H', 'Li', 'N'] |
mp-1211144 | LiSm6B3O14 | 4 | false | -1.717226 | -0.359184 | 2.186034 | true | 1.635645 | 2.370352 | ['B', 'Li', 'O', 'Sm'] |
mp-1211241 | LiNd6B3O14 | 4 | false | -1.672623 | -0.351015 | 2.118663 | true | 1.356622 | 2.508956 | ['B', 'Li', 'Nd', 'O'] |
mp-1211170 | LiHo6B3O14 | 4 | false | -1.798471 | -0.37184 | 2.378262 | true | 2.303472 | 2.102714 | ['B', 'Ho', 'Li', 'O'] |
mp-1211233 | LiDy6B3O14 | 4 | false | -1.789783 | -0.37105 | 2.353277 | true | 2.208117 | 2.130579 | ['B', 'Dy', 'Li', 'O'] |
mp-1211183 | LiTm6B3O14 | 4 | false | -1.828021 | -0.371279 | 2.433716 | true | 2.558728 | 1.995271 | ['B', 'Li', 'O', 'Tm'] |
mp-1211435 | KLiTbF5 | 4 | false | -2.01697 | 0.381285 | 4.13377 | false | 0.556553 | 0.017412 | ['F', 'K', 'Li', 'Tb'] |
mp-1211459 | KLiErF5 | 4 | false | -2.023767 | 0.382037 | 4.189292 | false | 0.603938 | 0.032653 | ['Er', 'F', 'K', 'Li'] |
mp-1211486 | LiPr6B3O14 | 4 | false | -1.641466 | -0.34478 | 2.055558 | true | 1.260517 | 2.536383 | ['B', 'Li', 'O', 'Pr'] |
mp-1211494 | KLiHoF5 | 4 | false | -2.020374 | 0.381845 | 4.127405 | false | 0.502028 | 0.065738 | ['F', 'Ho', 'K', 'Li'] |
mp-1211562 | LiEu2RuO6 | 4 | false | -0.546201 | -0.388173 | -0.868213 | false | 2.262987 | -0.555224 | ['Eu', 'Li', 'O', 'Ru'] |
mp-1211593 | LiEr6B3O14 | 4 | false | -1.812319 | -0.373319 | 2.423289 | true | 2.434102 | 2.050698 | ['B', 'Er', 'Li', 'O'] |
mp-1211461 | KLiDyF5 | 4 | false | -2.018769 | 0.381518 | 4.13465 | false | 0.619405 | 0.00685 | ['Dy', 'F', 'K', 'Li'] |
mp-1211480 | KLiLuF5 | 4 | false | -2.028912 | 0.382349 | 4.205407 | false | 0.911321 | -0.052632 | ['F', 'K', 'Li', 'Lu'] |
mp-1211585 | KLiGdF5 | 4 | false | -1.972814 | 0.050619 | 2.241082 | true | 0.464292 | 0.04914 | ['F', 'Gd', 'K', 'Li'] |
mp-1211625 | KLiYbF5 | 4 | false | -2.054689 | -1.199706 | -0.852369 | false | 0.867773 | -0.044667 | ['F', 'K', 'Li', 'Yb'] |
mp-1211965 | KLiMoO4 | 4 | false | -0.304532 | 0.062508 | 2.194227 | true | -0.664014 | 3.059436 | ['K', 'Li', 'Mo', 'O'] |
mp-1212005 | KLiWO4 | 4 | false | -0.367855 | -0.041754 | 2.387673 | true | 0.093072 | 3.109483 | ['K', 'Li', 'O', 'W'] |
mp-1213345 | LiEu6B3O14 | 4 | false | -1.207746 | -0.628815 | -0.866994 | false | 1.557143 | 2.470388 | ['B', 'Eu', 'Li', 'O'] |
mp-1213573 | LiCdMoO5 | 4 | false | 0.604534 | 0.303506 | -0.868213 | false | -0.170873 | 0.382401 | ['Cd', 'Li', 'Mo', 'O'] |
mp-12450 | LiNd2OsO6 | 4 | false | -0.929308 | -0.225553 | -0.868213 | false | 2.652244 | -0.515091 | ['Li', 'Nd', 'O', 'Os'] |
mp-12448 | LiSm2OsO6 | 4 | false | -0.95602 | -0.229722 | -0.600015 | false | 2.886553 | -0.53194 | ['Li', 'O', 'Os', 'Sm'] |
mp-12449 | LiPr2OsO6 | 4 | false | -0.909727 | -0.221975 | -0.868213 | false | 2.525232 | -0.505348 | ['Li', 'O', 'Os', 'Pr'] |
mp-12451 | LiLa2OsO6 | 4 | false | -0.993586 | -0.252246 | -0.641047 | false | 2.577072 | -0.517869 | ['La', 'Li', 'O', 'Os'] |
mp-1253150 | LiAlFeO4 | 4 | true | -0.335075 | 0.044564 | -0.806259 | false | -0.037878 | -0.439698 | ['Al', 'Fe', 'Li', 'O'] |
mp-1578408 | LiVOF3 | 4 | false | -1.074836 | 0.206776 | 0.635618 | true | -0.478049 | -0.411265 | ['F', 'Li', 'O', 'V'] |
mp-1661428 | LiCoPO4 | 4 | true | -0.386513 | 0.017183 | 1.097669 | true | -0.469051 | -0.226406 | ['Co', 'Li', 'O', 'P'] |
mp-1661789 | LiMnCO4 | 4 | true | -0.087577 | -0.146119 | 0.007273 | true | -0.435002 | -0.385056 | ['C', 'Li', 'Mn', 'O'] |
mp-1581648 | LiCoBO3 | 4 | true | -0.233567 | -0.000934 | 1.045736 | true | -0.44467 | -0.463134 | ['B', 'Co', 'Li', 'O'] |
mp-17034 | BaLiCoF6 | 4 | true | -1.163477 | 0.508335 | 0.678546 | true | 0.320594 | 0.200266 | ['Ba', 'Co', 'F', 'Li'] |
mp-17807 | LiUNbO6 | 4 | false | -1.365565 | -0.529689 | 0.357061 | true | 1.286331 | 0.228762 | ['Li', 'Nb', 'O', 'U'] |
mp-18704 | CsLiBeF4 | 4 | false | -1.516969 | 0.549616 | 3.896244 | true | -0.337541 | 0.090552 | ['Be', 'Cs', 'F', 'Li'] |
mp-19061 | LiFe(SiO3)2 | 4 | true | -0.860281 | -0.16548 | 0.995292 | true | -0.29341 | 0.006758 | ['Fe', 'Li', 'O', 'Si'] |
mp-19377 | LiLa2MoO6 | 4 | false | -1.200754 | -0.295807 | 0.220829 | true | 1.524035 | -0.479808 | ['La', 'Li', 'Mo', 'O'] |
mp-21270 | LiFe(GeO3)2 | 4 | true | -0.107216 | 0.079681 | 1.00423 | true | 0.405516 | 0.100552 | ['Fe', 'Ge', 'Li', 'O'] |
mp-21549 | LiCr(GeO3)2 | 4 | false | -0.291688 | -0.003295 | 0.998271 | true | 0.419051 | 0.077497 | ['Cr', 'Ge', 'Li', 'O'] |
mp-24413 | Na2LiAlH6 | 4 | false | 1.823175 | 1.186595 | 1.276693 | true | -1.516677 | -0.68248 | ['Al', 'H', 'Li', 'Na'] |
mp-25881 | LiBi(PO3)4 | 4 | false | -0.608058 | -0.02135 | 2.43981 | true | -0.290221 | 1.837409 | ['Bi', 'Li', 'O', 'P'] |
mp-25840 | LiTi2(PO4)3 | 4 | false | -1.147812 | -0.26824 | 0.885806 | true | -0.603465 | 1.371807 | ['Li', 'O', 'P', 'Ti'] |
mp-25879 | LiNi3P3O11 | 4 | true | -0.310833 | 0.007277 | 1.649977 | true | -0.048268 | 1.118511 | ['Li', 'Ni', 'O', 'P'] |
mp-25849 | LiVP2O7 | 4 | false | -0.788677 | -0.158477 | 0.496543 | true | -0.386178 | 0.163145 | ['Li', 'O', 'P', 'V'] |
mp-25938 | LiMo(PO4)2 | 4 | false | -0.522842 | -0.1265 | 0.059342 | true | -0.384884 | 0.530775 | ['Li', 'Mo', 'O', 'P'] |
mp-26017 | LiCoPO4 | 4 | true | -0.468731 | -0.0045 | 1.173098 | true | -0.477651 | -0.222124 | ['Co', 'Li', 'O', 'P'] |
mp-25983 | LiMo(PO4)2 | 4 | false | -0.58118 | -0.141885 | 1.153597 | true | -0.509431 | 4.399147 | ['Li', 'Mo', 'O', 'P'] |
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