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-1147698 | Li10Zn(PS4)4 | 4 | false | 0.936716 | 0.772854 | 0.972677 | true | -1.143835 | 0.575287 | ['Li', 'P', 'S', 'Zn'] |
mp-1147695 | Li10Zn(PS4)4 | 4 | false | 0.936087 | 0.772688 | 0.976943 | true | -1.157098 | 0.593076 | ['Li', 'P', 'S', 'Zn'] |
mp-1250597 | Li10Co(SiO5)2 | 4 | true | -0.493879 | 0.31663 | 0.486996 | true | -0.898798 | 0.134511 | ['Co', 'Li', 'O', 'Si'] |
mp-1263657 | Li10Cr(SiO5)2 | 4 | false | -0.534165 | 0.27422 | -0.397292 | false | -0.894015 | 0.102888 | ['Cr', 'Li', 'O', 'Si'] |
mp-632815 | Li10Ge(PO6)2 | 4 | false | -0.600098 | 0.29048 | 2.174117 | true | -0.800065 | 0.248487 | ['Ge', 'Li', 'O', 'P'] |
mp-696138 | Li10Ge(PS6)2 | 4 | false | 0.852225 | 0.786253 | 0.851274 | true | -1.187687 | 1.620645 | ['Ge', 'Li', 'P', 'S'] |
mp-721236 | Li10Sn(PS6)2 | 4 | false | 0.861175 | 0.795733 | 0.832721 | true | -1.125553 | 1.705906 | ['Li', 'P', 'S', 'Sn'] |
mp-720509 | Li10Si(PS6)2 | 4 | false | 0.804011 | 0.764226 | 0.952838 | true | -1.278234 | 1.598699 | ['Li', 'P', 'S', 'Si'] |
mp-721253 | Li10Si(PSe6)2 | 4 | false | 0.989495 | 0.902618 | 0.21961 | true | -0.378678 | 2.095647 | ['Li', 'P', 'Se', 'Si'] |
mp-721239 | Li10Ge(PSe6)2 | 4 | false | 1.016871 | 0.919149 | 0.151901 | true | -0.313803 | 2.127347 | ['Ge', 'Li', 'P', 'Se'] |
mp-721238 | Li10Sn(PO6)2 | 4 | false | -0.520713 | 0.318536 | 1.347653 | true | -0.771362 | 0.394032 | ['Li', 'O', 'P', 'Sn'] |
mp-721249 | Li10Ge(PO6)2 | 4 | false | -0.572532 | 0.29775 | 2.173372 | true | -0.871583 | 0.313415 | ['Ge', 'Li', 'O', 'P'] |
mp-721255 | Li10Si(PO6)2 | 4 | false | -0.725173 | 0.248183 | 2.589245 | true | -1.013801 | 0.269807 | ['Li', 'O', 'P', 'Si'] |
mp-721252 | Li10Sn(PSe6)2 | 4 | false | 1.012212 | 0.92504 | 0.190428 | true | -0.258989 | 2.176728 | ['Li', 'P', 'Se', 'Sn'] |
mp-759959 | Li10Mn5Fe3O16 | 4 | true | -0.015194 | 0.088475 | -0.361135 | false | 0.189169 | -0.325495 | ['Fe', 'Li', 'Mn', 'O'] |
mp-759912 | Li10CoNi9O20 | 4 | true | 0.500365 | 0.385339 | -0.563384 | false | 0.700363 | -0.262004 | ['Co', 'Li', 'Ni', 'O'] |
mp-760073 | Li10Mn3Cr5O16 | 4 | true | -0.231796 | -0.007317 | -0.748502 | false | 0.170187 | -0.339899 | ['Cr', 'Li', 'Mn', 'O'] |
mp-760348 | Li10Zn3(GeO4)4 | 4 | false | -0.189682 | 0.429006 | 1.152175 | true | -0.168665 | -0.124877 | ['Ge', 'Li', 'O', 'Zn'] |
mp-761047 | Li10V3Cr5O16 | 4 | false | -0.304446 | -0.024477 | -0.54666 | false | 0.157836 | -0.350162 | ['Cr', 'Li', 'O', 'V'] |
mp-761137 | Li10Ti3Mn5O16 | 4 | true | -0.51054 | -0.027453 | -0.261738 | false | -0.026318 | -0.277209 | ['Li', 'Mn', 'O', 'Ti'] |
mp-763869 | Li10Fe5Co3O16 | 4 | true | 0.206169 | 0.2106 | -0.459856 | false | 0.331383 | -0.355603 | ['Co', 'Fe', 'Li', 'O'] |
mp-764262 | Li10FeCo9O20 | 4 | true | 0.277226 | 0.228449 | -0.764888 | false | 0.595814 | -0.230097 | ['Co', 'Fe', 'Li', 'O'] |
mp-764265 | Li10Mn3V5O16 | 4 | true | -0.298673 | -0.00067 | -0.713429 | false | 0.094427 | -0.320259 | ['Li', 'Mn', 'O', 'V'] |
mp-768947 | Li10Zn3(GeO4)4 | 4 | false | -0.284092 | 0.404107 | 1.417462 | true | -0.057773 | -0.175238 | ['Ge', 'Li', 'O', 'Zn'] |
mp-770854 | Li10Fe3Sb7O24 | 4 | true | 0.008721 | 0.273945 | -0.148324 | false | 0.662823 | 0.251886 | ['Fe', 'Li', 'O', 'Sb'] |
mp-760848 | Li10Fe3Co7O20 | 4 | true | 0.200256 | 0.188759 | -0.868213 | false | 0.631565 | -0.24788 | ['Co', 'Fe', 'Li', 'O'] |
mp-769507 | Li10CoNi9O20 | 4 | true | 0.502139 | 0.385806 | -0.868213 | false | 0.681105 | -0.256112 | ['Co', 'Li', 'Ni', 'O'] |
mp-771052 | Li10Fe3Ni7O20 | 4 | true | 0.385775 | 0.3064 | -0.729002 | false | 0.530595 | -0.216758 | ['Fe', 'Li', 'Ni', 'O'] |
mp-770651 | Li10Fe9CoO20 | 4 | true | 0.059452 | 0.093453 | -0.655401 | false | 0.308476 | -0.155425 | ['Co', 'Fe', 'Li', 'O'] |
mp-696127 | Li10Ge(PSe6)2 | 4 | false | 1.029318 | 0.922431 | 0.043024 | true | -0.292614 | 2.095174 | ['Ge', 'Li', 'P', 'Se'] |
mp-696130 | Li10Ge(PO6)2 | 4 | false | -0.554067 | 0.30262 | 2.145273 | true | -0.837942 | 0.282182 | ['Ge', 'Li', 'O', 'P'] |
mp-696125 | Li10Si(PO6)2 | 4 | false | -0.707343 | 0.252885 | 2.689523 | true | -0.992758 | 0.24888 | ['Li', 'O', 'P', 'Si'] |
mp-706277 | Li10Si(PSe6)2 | 4 | false | 1.00164 | 0.905821 | 0.200042 | true | -0.357821 | 2.063326 | ['Li', 'P', 'Se', 'Si'] |
mp-696123 | Li10Sn(PS6)2 | 4 | false | 0.873989 | 0.799112 | 0.671031 | true | -1.110472 | 1.67416 | ['Li', 'P', 'S', 'Sn'] |
mp-696128 | Li10Ge(PS6)2 | 4 | false | 0.864445 | 0.789475 | 0.707797 | true | -1.172078 | 1.58727 | ['Ge', 'Li', 'P', 'S'] |
mp-696129 | Li10Si(PS6)2 | 4 | false | 0.816254 | 0.767455 | 0.898941 | true | -1.26474 | 1.567936 | ['Li', 'P', 'S', 'Si'] |
mp-696136 | Li10Sn(PO6)2 | 4 | false | -0.474408 | 0.330748 | 1.428295 | true | -0.734507 | 0.360134 | ['Li', 'O', 'P', 'Sn'] |
mp-705516 | Li10Sn(PSe6)2 | 4 | false | 1.025615 | 0.928575 | 0.075524 | true | -0.247008 | 2.158642 | ['Li', 'P', 'Se', 'Sn'] |
mp-1178111 | Li10Co3Ni7O20 | 4 | true | 0.488178 | 0.362492 | -0.868213 | false | 0.61749 | -0.235639 | ['Co', 'Li', 'Ni', 'O'] |
mp-553950 | Li10Si2PbO10 | 4 | false | -0.565671 | 0.34085 | 1.152649 | true | -0.176487 | 0.117283 | ['Li', 'O', 'Pb', 'Si'] |
mp-756983 | Li10Cu(SiO5)2 | 4 | false | -0.469343 | 0.361378 | -0.630552 | false | -0.875702 | 0.133222 | ['Cu', 'Li', 'O', 'Si'] |
mp-1314 | Li12Si7 | 2 | false | 1.933353 | 1.118875 | -0.868213 | false | -1.471959 | 5.6878 | ['Li', 'Si'] |
mp-753075 | Li12Mn2O9 | 3 | true | -0.057513 | 0.44168 | -0.229846 | false | -0.922169 | -0.556561 | ['Li', 'Mn', 'O'] |
mp-759703 | Li12Ni11O28 | 3 | true | 0.741842 | 0.454157 | -0.265529 | false | 0.325862 | 0.09364 | ['Li', 'Ni', 'O'] |
mp-760142 | Li12Fe5O16 | 3 | true | 0.170101 | 0.313784 | -0.868213 | false | -0.196658 | -0.380093 | ['Fe', 'Li', 'O'] |
mp-764428 | Li12Cr5O16 | 3 | false | -0.185718 | 0.167936 | -0.462226 | false | -0.17945 | -0.412931 | ['Cr', 'Li', 'O'] |
mp-1224525 | Li12Cu11As12 | 3 | false | 1.68563 | -0.706329 | -0.868213 | false | 1.087236 | 0.261682 | ['As', 'Cu', 'Li'] |
mp-1199885 | Li12Mo5O17 | 3 | false | -0.214674 | 0.106066 | -0.000785 | false | 0.286508 | 0.678192 | ['Li', 'Mo', 'O'] |
mp-1210972 | Li12(WO4)7 | 3 | false | -0.269817 | -0.089057 | -0.868213 | false | 0.767272 | 0.542098 | ['Li', 'O', 'W'] |
mp-14378 | Li12Al3Si4 | 3 | false | 2.026308 | 1.220344 | -0.868213 | false | -1.45466 | 0.44478 | ['Al', 'Li', 'Si'] |
mp-8331 | Li12Mg3Si4 | 3 | false | 1.940847 | 1.294704 | -0.868213 | false | -1.531815 | 0.524927 | ['Li', 'Mg', 'Si'] |
mp-759244 | Li12Nb14ZnO42 | 4 | false | -0.991104 | -0.292786 | 1.332418 | true | 0.502639 | 1.021497 | ['Li', 'Nb', 'O', 'Zn'] |
mp-767604 | Li12Nb14ZnO42 | 4 | false | -0.99134 | -0.292849 | 1.340814 | true | 0.502062 | 1.02193 | ['Li', 'Nb', 'O', 'Zn'] |
mp-767746 | Li12Mn2Fe3O16 | 4 | true | 0.068006 | 0.27469 | -0.868213 | false | -0.151935 | -0.398841 | ['Fe', 'Li', 'Mn', 'O'] |
mp-770660 | Li12CrGa11O24 | 4 | false | -0.394022 | 0.318858 | 0.146145 | true | 0.135837 | 0.321922 | ['Cr', 'Ga', 'Li', 'O'] |
mp-1178090 | Li12Mn7V(PO4)12 | 5 | true | -0.667785 | -0.083067 | -0.446923 | false | -0.52507 | 1.443471 | ['Li', 'Mn', 'O', 'P', 'V'] |
mp-1178138 | Li12Mn7V(PO4)12 | 5 | true | -0.663756 | -0.082004 | -0.496622 | false | -0.5266 | 4.129231 | ['Li', 'Mn', 'O', 'P', 'V'] |
mp-779301 | Li12Mn3V5(PO4)12 | 5 | true | -0.758873 | -0.105956 | -0.697788 | false | -0.555953 | 1.459614 | ['Li', 'Mn', 'O', 'P', 'V'] |
mp-779437 | Li12Mn3V5(PO4)12 | 5 | true | -0.749644 | -0.103522 | -0.868213 | false | -0.542009 | 1.440491 | ['Li', 'Mn', 'O', 'P', 'V'] |
mp-779342 | Li12MnV7(PO4)12 | 5 | true | -0.80339 | -0.11713 | -0.745388 | false | -0.557959 | 1.449247 | ['Li', 'Mn', 'O', 'P', 'V'] |
mp-850892 | Li12Mn5V3(PO4)12 | 5 | true | -0.712783 | -0.094367 | -0.868213 | false | -0.536839 | 1.446471 | ['Li', 'Mn', 'O', 'P', 'V'] |
mp-887443 | Li12Mn3V5(PO4)12 | 5 | true | -0.760811 | -0.106467 | -0.492086 | false | -0.552994 | 1.455534 | ['Li', 'Mn', 'O', 'P', 'V'] |
mp-1120802 | Li12MnCo(Ni5O12)2 | 5 | true | 0.4386 | 0.350243 | -0.868213 | false | 0.604972 | -0.034812 | ['Co', 'Li', 'Mn', 'Ni', 'O'] |
mp-775195 | Li12Mn11Fe(PO4)12 | 5 | true | -0.709388 | -0.149662 | 1.630612 | true | -0.273796 | 1.464447 | ['Fe', 'Li', 'Mn', 'O', 'P'] |
mp-17125 | CsNa3Li12(GeO4)4 | 5 | false | -0.274448 | 0.45489 | 1.79325 | true | -0.317866 | -0.020482 | ['Cs', 'Ge', 'Li', 'Na', 'O'] |
mp-17240 | RbNa3Li12(SiO4)4 | 5 | false | -0.714761 | 0.312318 | 2.383949 | true | -0.75523 | -0.129586 | ['Li', 'Na', 'O', 'Rb', 'Si'] |
mp-774749 | RbNa3Li12Ti4O16 | 5 | false | -0.736461 | 0.22696 | 2.126246 | true | -0.63185 | -0.067225 | ['Li', 'Na', 'O', 'Rb', 'Ti'] |
mp-1178081 | Li12Mn3CoP4(CO7)4 | 6 | true | -0.449468 | -0.000647 | 0.522205 | true | -0.674106 | 0.382421 | ['C', 'Co', 'Li', 'Mn', 'O', 'P'] |
mp-1178087 | Li12V3NiP4(CO7)4 | 6 | true | -0.460579 | 0.005281 | 0.494038 | true | -0.675572 | 0.362319 | ['C', 'Li', 'Ni', 'O', 'P', 'V'] |
mp-1178083 | Li12CrNi3P4(CO7)4 | 6 | true | -0.373572 | 0.06192 | 0.238569 | true | -0.597085 | 0.324404 | ['C', 'Cr', 'Li', 'Ni', 'O', 'P'] |
mp-1178080 | Li12Mn3NiP4(CO7)4 | 6 | true | -0.448129 | 0.007257 | 1.072346 | true | -0.666709 | 0.375497 | ['C', 'Li', 'Mn', 'Ni', 'O', 'P'] |
mp-1178088 | Li12Cr3NiP4(CO7)4 | 6 | true | -0.4277 | 0.004426 | 0.74199 | true | -0.673368 | 0.365927 | ['C', 'Cr', 'Li', 'Ni', 'O', 'P'] |
mp-1178079 | Li12MnCr3P4(CO7)4 | 6 | true | -0.46385 | -0.023978 | 0.905306 | true | -0.705284 | 0.387629 | ['C', 'Cr', 'Li', 'Mn', 'O', 'P'] |
mp-1178117 | Li12Fe3CoP4(CO7)4 | 6 | true | -0.388081 | 0.027126 | 0.602238 | true | -0.6341 | 0.352499 | ['C', 'Co', 'Fe', 'Li', 'O', 'P'] |
mp-1178129 | Li12Cr3CoP4(CO7)4 | 6 | true | -0.426311 | -0.002759 | 0.182167 | true | -0.677693 | 0.370135 | ['C', 'Co', 'Cr', 'Li', 'O', 'P'] |
mp-766509 | Li12Mn3VP4(CO7)4 | 6 | true | -0.487132 | -0.021463 | 0.950198 | true | -0.697397 | 0.389103 | ['C', 'Li', 'Mn', 'O', 'P', 'V'] |
mp-766547 | Li12CoNi3P4(CO7)4 | 6 | true | -0.327502 | 0.088129 | 1.144321 | true | -0.550925 | 0.298935 | ['C', 'Co', 'Li', 'Ni', 'O', 'P'] |
mp-766533 | Li12Cr3FeP4(CO7)4 | 6 | true | -0.440288 | -0.013903 | 0.838003 | true | -0.694442 | 0.379519 | ['C', 'Cr', 'Fe', 'Li', 'O', 'P'] |
mp-766537 | Li12VCr3P4(CO7)4 | 6 | false | -0.461991 | -0.023052 | 0.474943 | true | -0.69509 | 0.371425 | ['C', 'Cr', 'Li', 'O', 'P', 'V'] |
mp-766531 | Li12Mn3CrP4(CO7)4 | 6 | true | -0.475227 | -0.021499 | 0.738402 | true | -0.694517 | 0.388385 | ['C', 'Cr', 'Li', 'Mn', 'O', 'P'] |
mp-766535 | Li12V3FeP4(CO7)4 | 6 | true | -0.473455 | -0.013123 | 0.954463 | true | -0.696586 | 0.375833 | ['C', 'Fe', 'Li', 'O', 'P', 'V'] |
mp-766539 | Li12FeNi3P4(CO7)4 | 6 | true | -0.35914 | 0.072327 | 1.215348 | true | -0.570067 | 0.308999 | ['C', 'Fe', 'Li', 'Ni', 'O', 'P'] |
mp-766510 | Li12MnFe3P4(CO7)4 | 6 | true | -0.420269 | 0.007318 | 1.596418 | true | -0.662362 | 0.369902 | ['C', 'Fe', 'Li', 'Mn', 'O', 'P'] |
mp-766538 | Li12V3CrP4(CO7)4 | 6 | false | -0.486905 | -0.023271 | 0.468511 | true | -0.713086 | 0.383786 | ['C', 'Cr', 'Li', 'O', 'P', 'V'] |
mp-766513 | Li12MnNi3P4(CO7)4 | 6 | true | -0.380254 | 0.062898 | 0.984323 | true | -0.582549 | 0.317513 | ['C', 'Li', 'Mn', 'Ni', 'O', 'P'] |
mp-766534 | Li12CrFe3P4(CO7)4 | 6 | true | -0.412266 | 0.006689 | -0.716069 | false | -0.658411 | 0.361369 | ['C', 'Cr', 'Fe', 'Li', 'O', 'P'] |
mp-766564 | Li12Fe3NiP4(CO7)4 | 6 | true | -0.384509 | 0.035619 | 1.270735 | true | -0.611092 | 0.332812 | ['C', 'Fe', 'Li', 'Ni', 'O', 'P'] |
mp-766567 | Li12Co3NiP4(CO7)4 | 6 | true | -0.347523 | 0.067747 | 1.054741 | true | -0.572041 | 0.316485 | ['C', 'Co', 'Li', 'Ni', 'O', 'P'] |
mp-766588 | Li12V3CoP4(CO7)4 | 6 | true | -0.462125 | -0.002677 | -0.271081 | false | -0.687125 | 0.372889 | ['C', 'Co', 'Li', 'O', 'P', 'V'] |
mp-767262 | Li12Mn3FeP4(CO7)4 | 6 | true | -0.461925 | -0.01139 | 1.600752 | true | -0.683831 | 0.385627 | ['C', 'Fe', 'Li', 'Mn', 'O', 'P'] |
mp-766677 | Li12VNi3P4(CO7)4 | 6 | true | -0.385099 | 0.062056 | 0.213584 | true | -0.601886 | 0.326563 | ['C', 'Li', 'Ni', 'O', 'P', 'V'] |
mp-766814 | Li12MnCo3P4(CO7)4 | 6 | true | -0.33442 | 0.052333 | 0.490178 | true | -0.61903 | 0.348761 | ['C', 'Co', 'Li', 'Mn', 'O', 'P'] |
mp-766565 | Li12VCo3P4(CO7)4 | 6 | true | -0.382547 | 0.040076 | -0.340145 | false | -0.623927 | 0.346081 | ['C', 'Co', 'Li', 'O', 'P', 'V'] |
mp-861267 | Li12MnV3P4(CO7)4 | 6 | true | -0.495266 | -0.022737 | 0.141406 | true | -0.710069 | 0.386312 | ['C', 'Li', 'Mn', 'O', 'P', 'V'] |
mp-766566 | Li12VFe3P4(CO7)4 | 6 | true | -0.424443 | 0.006653 | 0.920676 | true | -0.668881 | 0.368631 | ['C', 'Fe', 'Li', 'O', 'P', 'V'] |
mp-766700 | Li12CrCo3P4(CO7)4 | 6 | true | -0.375699 | 0.038707 | -0.052718 | false | -0.616763 | 0.341872 | ['C', 'Co', 'Cr', 'Li', 'O', 'P'] |
mp-17718 | CsKNa2Li12(SiO4)4 | 6 | false | -0.707962 | 0.316391 | 2.430737 | true | -0.646996 | -0.084543 | ['Cs', 'K', 'Li', 'Na', 'O', 'Si'] |
mp-30769 | Li13Sn5 | 2 | false | 1.739325 | 1.27429 | -0.868213 | false | -0.139077 | -0.312583 | ['Li', 'Sn'] |
mp-510430 | Li13In3 | 2 | false | 1.890838 | 0.246433 | -0.868213 | false | -0.837083 | 0.429892 | ['In', 'Li'] |
mp-672287 | Li13Si4 | 2 | false | 1.914162 | 1.24964 | -0.868213 | false | -1.650365 | 0.275394 | ['Li', 'Si'] |
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