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-849721 | LiMnP2O7 | 4 | true | -0.574373 | -0.104019 | -0.794071 | false | -0.491304 | 1.761285 | ['Li', 'Mn', 'O', 'P'] |
mp-849674 | LiMnP2O7 | 4 | true | -0.583714 | -0.106483 | -0.575504 | false | -0.506274 | 1.783703 | ['Li', 'Mn', 'O', 'P'] |
mp-849692 | LiMnP2O7 | 4 | true | -0.579327 | -0.105326 | -0.613218 | false | -0.496498 | 1.769026 | ['Li', 'Mn', 'O', 'P'] |
mp-849720 | LiFe4(BO3)4 | 4 | true | -0.279532 | -0.218956 | 0.250621 | true | -0.369494 | 0.157935 | ['B', 'Fe', 'Li', 'O'] |
mp-849704 | LiFe4(BO3)4 | 4 | true | -0.279318 | -0.2189 | -0.75656 | false | -0.368764 | 0.157458 | ['B', 'Fe', 'Li', 'O'] |
mp-849723 | LiMnP2O7 | 4 | true | -0.586557 | -0.107233 | -0.701173 | false | -0.501752 | 1.776896 | ['Li', 'Mn', 'O', 'P'] |
mp-849742 | LiFe4(BO3)4 | 4 | true | -0.277222 | -0.218347 | -0.009113 | false | -0.373563 | 0.160594 | ['B', 'Fe', 'Li', 'O'] |
mp-850395 | LiMn3(BO3)3 | 4 | true | -0.457415 | -0.285857 | -0.868213 | false | -0.42864 | -0.164359 | ['B', 'Li', 'Mn', 'O'] |
mp-850907 | LiMn2(BO3)2 | 4 | true | -0.497714 | -0.261634 | -0.597036 | false | -0.409271 | 0.194504 | ['B', 'Li', 'Mn', 'O'] |
mp-850885 | LiMn2(BO3)2 | 4 | true | -0.486139 | -0.258581 | -0.343802 | false | -0.427555 | 0.207088 | ['B', 'Li', 'Mn', 'O'] |
mp-850913 | LiVOF3 | 4 | false | -1.073406 | 0.207153 | 0.253397 | true | -0.57317 | 0.496875 | ['F', 'Li', 'O', 'V'] |
mp-849747 | LiFe8(BO3)8 | 4 | true | -0.25877 | -0.241045 | 0.302216 | true | -0.393688 | 0.163375 | ['B', 'Fe', 'Li', 'O'] |
mp-850394 | LiV3OF11 | 4 | false | -1.090869 | 0.25076 | 0.348665 | true | -0.61322 | -0.587112 | ['F', 'Li', 'O', 'V'] |
mp-850921 | LiMn2(BO3)2 | 4 | true | -0.496864 | -0.261409 | -0.701444 | false | -0.421362 | 0.202801 | ['B', 'Li', 'Mn', 'O'] |
mp-849952 | LiFe4(BO3)4 | 4 | true | -0.279817 | -0.219032 | 0.386515 | true | -0.369858 | 0.158172 | ['B', 'Fe', 'Li', 'O'] |
mp-849990 | LiMn2(BO3)2 | 4 | true | -0.495806 | -0.26113 | -0.653641 | false | -0.444764 | 0.219136 | ['B', 'Li', 'Mn', 'O'] |
mp-849740 | LiFe(SO4)2 | 4 | true | 0.035161 | 0.13986 | 0.536966 | true | -0.670852 | 0.096439 | ['Fe', 'Li', 'O', 'S'] |
mp-850950 | LiMn3(BO3)3 | 4 | true | -0.457752 | -0.285946 | -0.761299 | false | -0.429576 | -0.163875 | ['B', 'Li', 'Mn', 'O'] |
mp-851076 | LiMn2(BO3)2 | 4 | true | -0.49693 | -0.261427 | -0.698871 | false | -0.412366 | 0.555311 | ['B', 'Li', 'Mn', 'O'] |
mp-850961 | LiFe2OF5 | 4 | true | -0.602764 | 0.304109 | 0.617946 | true | 0.047727 | -0.373826 | ['F', 'Fe', 'Li', 'O'] |
mp-851033 | LiCo3OF5 | 4 | true | -0.254794 | 0.374034 | 0.495933 | true | 0.291097 | 0.112495 | ['Co', 'F', 'Li', 'O'] |
mp-877684 | KLiSb3O8 | 4 | false | 5.527034 | 1.768598 | -0.868213 | false | 0.824621 | 0.318808 | ['K', 'Li', 'O', 'Sb'] |
mp-888265 | LiLa8Cu3O16 | 4 | false | -0.247798 | 0.096632 | -0.868213 | false | 2.106366 | -0.150497 | ['Cu', 'La', 'Li', 'O'] |
mp-863350 | LiV3OF11 | 4 | false | -0.536111 | 0.397065 | -0.574082 | false | -0.613219 | -0.587112 | ['F', 'Li', 'O', 'V'] |
mp-882580 | LiFe4(BO3)4 | 4 | true | -0.281127 | -0.219377 | 0.309258 | true | -0.38366 | 0.16724 | ['B', 'Fe', 'Li', 'O'] |
mp-890764 | LiMn2(BO3)2 | 4 | true | 2.290322 | 0.473651 | -0.868213 | false | -0.438773 | 0.941453 | ['B', 'Li', 'Mn', 'O'] |
mp-859107 | LiCr(SiO3)2 | 4 | false | -0.988199 | -0.233541 | 0.558633 | true | -0.280907 | 1.193363 | ['Cr', 'Li', 'O', 'Si'] |
mp-882858 | LiFe4(BO3)4 | 4 | true | -0.276444 | -0.218142 | 0.097733 | true | -0.374364 | 0.16112 | ['B', 'Fe', 'Li', 'O'] |
mp-883780 | LiMn2(PO4)2 | 4 | true | 4.145197 | 1.055174 | -0.868213 | false | -0.294947 | 0.095231 | ['Li', 'Mn', 'O', 'P'] |
mp-861449 | LiCr(SO4)2 | 4 | false | -0.111129 | 0.072675 | 0.667984 | true | -0.653366 | 0.063903 | ['Cr', 'Li', 'O', 'S'] |
mp-861457 | LiV2OF5 | 4 | false | -1.167764 | 0.11552 | -0.348474 | false | -0.154118 | -0.040382 | ['F', 'Li', 'O', 'V'] |
mp-882582 | LiFe4(BO3)4 | 4 | true | -0.279491 | -0.218946 | 0.338305 | true | -0.390061 | 0.171484 | ['B', 'Fe', 'Li', 'O'] |
mp-1279363 | LiFeOF | 4 | true | -0.275084 | 0.215616 | 0.130369 | true | 0.184698 | -0.772344 | ['F', 'Fe', 'Li', 'O'] |
mp-1232979 | LiEr4Zr4O14 | 4 | false | -1.507064 | -0.418459 | -0.868213 | false | 2.199916 | -0.376448 | ['Er', 'Li', 'O', 'Zr'] |
mp-1313454 | LiMnCo3O8 | 4 | true | 0.572874 | 0.081642 | -0.175408 | false | 0.367435 | -0.420282 | ['Co', 'Li', 'Mn', 'O'] |
mp-643708 | LiH2IO | 4 | false | 0.694106 | 0.841431 | 1.868137 | true | -0.377586 | -0.781031 | ['H', 'I', 'Li', 'O'] |
mp-760397 | LiCoCuO4 | 4 | true | 0.794484 | 0.383205 | -0.868213 | false | 0.640123 | -1.041118 | ['Co', 'Cu', 'Li', 'O'] |
mp-758463 | LiNiSnO4 | 4 | true | 0.311902 | 0.315743 | -0.663188 | false | 0.921179 | -1.005895 | ['Li', 'Ni', 'O', 'Sn'] |
mp-1188440 | LiMnVF6 | 4 | true | -1.282896 | 0.180454 | 0.730547 | true | -0.063688 | -0.643057 | ['F', 'Li', 'Mn', 'V'] |
mp-1222564 | LiCoCuF6 | 4 | true | -0.331012 | 0.657592 | -0.826233 | false | 0.173147 | -0.655895 | ['Co', 'Cu', 'F', 'Li'] |
mp-1222326 | LiMgCoF6 | 4 | true | -1.005131 | 0.559397 | 0.811393 | true | -0.245699 | -0.659385 | ['Co', 'F', 'Li', 'Mg'] |
mp-1222369 | LiCoNiF6 | 4 | true | -0.528194 | 0.551399 | 0.292263 | true | 0.135239 | -0.659322 | ['Co', 'F', 'Li', 'Ni'] |
mp-1222336 | LiZnRhF6 | 4 | false | -0.480648 | 0.702226 | 0.2081 | true | 0.490229 | -0.619399 | ['F', 'Li', 'Rh', 'Zn'] |
mp-1222366 | LiNiRhF6 | 4 | true | -0.374626 | 0.584455 | 0.280211 | true | 0.528894 | -0.641457 | ['F', 'Li', 'Ni', 'Rh'] |
mp-1236192 | LiPu2TeO2 | 4 | false | 0.008407 | -0.607282 | -0.868213 | false | 4.107847 | -0.920812 | ['Li', 'O', 'Pu', 'Te'] |
mp-1223108 | LiU4As3O20 | 4 | false | -0.927078 | -0.364186 | 0.403916 | true | 1.123406 | 1.418041 | ['As', 'Li', 'O', 'U'] |
mp-1013899 | LiFe3P3O13 | 4 | true | -0.313418 | -0.109088 | -0.868213 | false | -0.392594 | 0.202976 | ['Fe', 'Li', 'O', 'P'] |
mp-1012789 | LiCr3P3O13 | 4 | false | -0.601368 | -0.236516 | -0.868213 | false | -0.387067 | 0.16431 | ['Cr', 'Li', 'O', 'P'] |
mp-1013912 | LiCo3P3O13 | 4 | true | -0.079178 | 0.01086 | -0.828129 | false | -0.157168 | 0.083996 | ['Co', 'Li', 'O', 'P'] |
mp-1012865 | LiTi3P3O13 | 4 | false | -1.114962 | -0.295473 | -0.868213 | false | -0.533435 | 0.227983 | ['Li', 'O', 'P', 'Ti'] |
mp-1013878 | LiV3P3O13 | 4 | false | -0.767708 | -0.255615 | -0.868213 | false | -0.460182 | 0.204449 | ['Li', 'O', 'P', 'V'] |
mp-1013917 | LiMn3P3O13 | 4 | true | -0.463792 | -0.178863 | -0.868213 | false | -0.356859 | 0.170937 | ['Li', 'Mn', 'O', 'P'] |
mp-1013898 | LiMo3P3O13 | 4 | false | -0.480599 | -0.256571 | -0.02929 | false | -0.120994 | 0.362246 | ['Li', 'Mo', 'O', 'P'] |
mp-10555 | Ba2LiReN4 | 4 | false | 1.111841 | -0.037591 | 0.343925 | true | 1.564613 | -0.413115 | ['Ba', 'Li', 'N', 'Re'] |
mp-10556 | Sr2LiReN4 | 4 | false | 1.068699 | -0.032536 | 0.357264 | true | 1.34767 | -0.532093 | ['Li', 'N', 'Re', 'Sr'] |
mp-1101597 | LiCrP2O7 | 4 | false | -0.725711 | -0.156884 | 0.841997 | true | -0.41116 | 0.186282 | ['Cr', 'Li', 'O', 'P'] |
mp-1094143 | LiNi3P3O13 | 4 | true | 0.065465 | 0.107904 | -0.868213 | false | -0.229623 | 0.123996 | ['Li', 'Ni', 'O', 'P'] |
mp-1189974 | LiLa(CN2)2 | 4 | false | 1.151099 | -0.285007 | 1.334044 | true | -0.093245 | -0.63821 | ['C', 'La', 'Li', 'N'] |
mp-1222623 | LiLa3MnO7 | 4 | true | -1.359146 | -0.282874 | 0.675499 | true | 1.771806 | 0.532181 | ['La', 'Li', 'Mn', 'O'] |
mp-1539853 | LiV(OF)2 | 4 | false | -0.817818 | 0.127836 | 0.642796 | true | -0.335949 | -0.860596 | ['F', 'Li', 'O', 'V'] |
mp-17664 | LiNi2P3O10 | 4 | true | -0.449434 | -0.015918 | 1.851278 | true | -0.114993 | -0.227153 | ['Li', 'Ni', 'O', 'P'] |
mp-22042 | LiCo2P3O10 | 4 | true | -0.460355 | -0.06788 | 1.0001 | true | -0.171597 | -0.201355 | ['Co', 'Li', 'O', 'P'] |
mp-26531 | LiCu2P3O10 | 4 | false | -0.262096 | 0.094453 | -0.838827 | false | -0.094468 | -0.209958 | ['Cu', 'Li', 'O', 'P'] |
mp-25955 | LiMnP2O7 | 4 | true | -0.612175 | -0.113989 | -0.868213 | false | -0.414164 | 0.206345 | ['Li', 'Mn', 'O', 'P'] |
mp-26635 | LiV2P3O10 | 4 | false | -0.716207 | -0.206096 | 0.957984 | true | -0.316066 | -0.179817 | ['Li', 'O', 'P', 'V'] |
mp-26765 | LiV6P7O24 | 4 | false | -0.684176 | -0.268583 | 0.757902 | true | -0.302311 | 1.417485 | ['Li', 'O', 'P', 'V'] |
mp-26613 | LiFeP2O7 | 4 | true | -0.56701 | -0.083825 | 0.68464 | true | -0.41664 | 0.213616 | ['Fe', 'Li', 'O', 'P'] |
mp-26009 | LiMo2P2O11 | 4 | false | -0.422203 | -0.183977 | -0.130313 | false | -0.211506 | 1.201196 | ['Li', 'Mo', 'O', 'P'] |
mp-26777 | LiCrP2O7 | 4 | false | -0.725405 | -0.156803 | 0.871587 | true | -0.31025 | 0.120912 | ['Cr', 'Li', 'O', 'P'] |
mp-26005 | LiMn6P7O24 | 4 | true | -0.687339 | -0.272996 | 1.403717 | true | -0.29262 | 1.475287 | ['Li', 'Mn', 'O', 'P'] |
mp-26977 | LiMn2P3O10 | 4 | true | -0.712459 | -0.207941 | 1.849246 | true | -0.333746 | -0.14764 | ['Li', 'Mn', 'O', 'P'] |
mp-27007 | LiFe2P3O10 | 4 | true | -0.556077 | -0.141601 | 1.277235 | true | -0.280249 | -0.168593 | ['Fe', 'Li', 'O', 'P'] |
mp-31557 | LiCo6P7O24 | 4 | true | -0.356151 | -0.092717 | -0.868213 | false | -0.061426 | 1.281827 | ['Co', 'Li', 'O', 'P'] |
mp-504371 | LiNi6P7O24 | 4 | true | -0.33559 | -0.025297 | 1.868205 | true | 0.00735 | 1.209286 | ['Li', 'Ni', 'O', 'P'] |
mp-504358 | LiCr6P7O24 | 4 | false | -0.612432 | -0.275736 | 0.743141 | true | -0.336187 | 1.47757 | ['Cr', 'Li', 'O', 'P'] |
mp-585354 | LiCr2P3O10 | 4 | false | -0.648993 | -0.209012 | 0.879712 | true | -0.389661 | -0.136683 | ['Cr', 'Li', 'O', 'P'] |
mp-6075 | Ba2Li(BO2)5 | 4 | false | -1.164425 | -0.196886 | 2.612537 | true | 0.011042 | 0.023727 | ['B', 'Ba', 'Li', 'O'] |
mp-673134 | LiSn2P3O10 | 4 | false | -0.485107 | 0.03889 | 1.161113 | true | -0.156119 | 0.117824 | ['Li', 'O', 'P', 'Sn'] |
mp-684052 | LiSn6P7O24 | 4 | false | -0.417372 | 0.03425 | 0.946067 | true | -0.012249 | 2.153838 | ['Li', 'O', 'P', 'Sn'] |
mp-753121 | LiP(WO4)2 | 4 | false | -0.377541 | -0.321631 | -0.600489 | false | 1.006061 | -0.264203 | ['Li', 'O', 'P', 'W'] |
mp-754539 | LiVSiO5 | 4 | false | -0.785582 | -0.161161 | 0.59892 | true | -0.459832 | -0.718525 | ['Li', 'O', 'Si', 'V'] |
mp-759040 | LiMn2(PO3)5 | 4 | true | -0.653546 | -0.166715 | 2.100314 | true | -0.551263 | 0.438688 | ['Li', 'Mn', 'O', 'P'] |
mp-758130 | LiVP2O7 | 4 | false | -0.779894 | -0.156161 | -0.752632 | false | -0.46172 | 0.214849 | ['Li', 'O', 'P', 'V'] |
mp-774064 | LiSb(PO4)2 | 4 | false | -0.439719 | 0.057824 | 0.430932 | true | -0.070937 | -0.399627 | ['Li', 'O', 'P', 'Sb'] |
mp-859103 | LiNi2(PO3)5 | 4 | true | -0.429324 | -0.022256 | 1.402159 | true | -0.445202 | 0.375866 | ['Li', 'Ni', 'O', 'P'] |
mp-850438 | LiVGeO5 | 4 | false | -0.319429 | -0.009125 | 0.697844 | true | -0.195474 | -0.65434 | ['Ge', 'Li', 'O', 'V'] |
mp-1190102 | LiY(BH4)4 | 4 | false | 1.714499 | 0.811094 | 3.019675 | true | -1.81925 | -0.516338 | ['B', 'H', 'Li', 'Y'] |
mp-12240 | Na2LiBe2F7 | 4 | false | -1.491061 | 0.529726 | 3.836457 | true | -0.949288 | -0.399293 | ['Be', 'F', 'Li', 'Na'] |
mp-554108 | LiRe(OF2)2 | 4 | false | -0.70335 | 0.195994 | 1.260511 | true | 0.640678 | -0.624724 | ['F', 'Li', 'O', 'Re'] |
mp-32244 | LiNbWO6 | 4 | false | -0.645594 | -0.393545 | 0.803132 | true | 1.409939 | -0.616543 | ['Li', 'Nb', 'O', 'W'] |
mp-1210400 | Na3LiTi2F12 | 4 | false | -1.68383 | 0.374288 | 2.364991 | true | -0.759791 | 0.227592 | ['F', 'Li', 'Na', 'Ti'] |
mp-1197353 | Ba4LiGa5Se12 | 4 | false | 0.554643 | 0.805668 | 0.30682 | true | 0.724522 | 2.437333 | ['Ba', 'Ga', 'Li', 'Se'] |
mp-1235439 | LiBi2(IO)2 | 4 | false | 0.809763 | 0.814185 | -0.868213 | false | 1.893297 | -0.720249 | ['Bi', 'I', 'Li', 'O'] |
mp-1236076 | LiTm2(ClO)2 | 4 | false | -0.824012 | 0.307293 | -0.868213 | false | 1.347708 | -0.865744 | ['Cl', 'Li', 'O', 'Tm'] |
mp-1235682 | LiNb2(PO5)2 | 4 | false | -0.873433 | -0.285899 | -0.868213 | false | -0.347486 | -0.622699 | ['Li', 'Nb', 'O', 'P'] |
mp-1235441 | LiZr2(SeO)2 | 4 | false | -0.502894 | -0.081587 | -0.868213 | false | 1.02096 | -0.89344 | ['Li', 'O', 'Se', 'Zr'] |
mp-1211135 | LiNd(SO4)2 | 4 | false | -0.46771 | 0.096746 | 2.765629 | true | -0.417078 | -0.185243 | ['Li', 'Nd', 'O', 'S'] |
mp-1211153 | LiDy(SO4)2 | 4 | false | -0.468972 | 0.100035 | 3.011618 | true | -0.131522 | -0.26243 | ['Dy', 'Li', 'O', 'S'] |
mp-1245342 | LiLu(SO4)2 | 4 | false | -0.457848 | 0.105306 | 3.030035 | true | 0.049141 | -0.300067 | ['Li', 'Lu', 'O', 'S'] |
mp-1247025 | LiPr(SO4)2 | 4 | false | -0.467523 | 0.096135 | 2.704284 | true | -0.493092 | -0.156155 | ['Li', 'O', 'Pr', 'S'] |
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