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-1100628 | Li9Mn2Co5O16 | 4 | true | 0.218226 | 0.233168 | -0.868213 | false | 0.261743 | -0.401064 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100626 | Li9Mn2Co5O16 | 4 | true | 0.186418 | 0.224779 | -0.868213 | false | 0.264109 | -0.401779 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100638 | Li9Mn2Co5O16 | 4 | true | 0.296614 | 0.253841 | -0.868213 | false | 0.246163 | -0.396331 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100632 | Li9Mn2Co5O16 | 4 | true | 0.207615 | 0.23037 | -0.868213 | false | 0.253779 | -0.398651 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100645 | Li9Mn2Co5O16 | 4 | true | 0.190179 | 0.225771 | -0.868213 | false | 0.252908 | -0.398387 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100650 | Li9Mn2Co5O16 | 4 | true | 0.212199 | 0.231579 | -0.868213 | false | 0.258914 | -0.400209 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100654 | Li9Mn2Co5O16 | 4 | true | 0.160783 | 0.218019 | -0.512602 | false | 0.255915 | -0.3993 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100643 | Li9Mn2Co5O16 | 4 | true | 0.190994 | 0.225986 | -0.868213 | false | 0.274233 | -0.404821 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100653 | Li9Mn2Co5O16 | 4 | true | 0.181199 | 0.223403 | -0.69359 | false | 0.255019 | -0.399028 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100625 | Li9Mn2Co5O16 | 4 | true | 0.198686 | 0.228015 | -0.868213 | false | 0.260286 | -0.400624 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100627 | Li9Mn2Co5O16 | 4 | true | 0.203828 | 0.229371 | -0.868213 | false | 0.277862 | -0.405906 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100636 | Li9Mn2Co5O16 | 4 | true | 0.186368 | 0.224766 | -0.868213 | false | 0.26396 | -0.401734 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100637 | Li9Mn2Co5O16 | 4 | true | 0.21387 | 0.23202 | -0.868213 | false | 0.255628 | -0.399213 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100639 | Li9Mn2Co5O16 | 4 | true | 0.306466 | 0.25644 | -0.868213 | false | 0.21148 | -0.385599 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100644 | Li9Mn2Co5O16 | 4 | true | 0.18244 | 0.22373 | -0.838759 | false | 0.262993 | -0.401442 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100647 | Li9Mn2Co5O16 | 4 | true | 0.192446 | 0.226369 | -0.824134 | false | 0.261326 | -0.400938 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100651 | Li9Mn2Co5O16 | 4 | true | 0.187452 | 0.225052 | -0.868213 | false | 0.283261 | -0.407515 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100633 | Li9Mn2Co5O16 | 4 | true | 0.190695 | 0.225908 | -0.868213 | false | 0.265078 | -0.402071 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100640 | Li9Mn2Co5O16 | 4 | true | 0.31354 | 0.258305 | -0.868213 | false | 0.268321 | -0.403047 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100641 | Li9Mn2Co5O16 | 4 | true | 0.308573 | 0.256995 | -0.868213 | false | 0.281372 | -0.406953 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100646 | Li9Mn2Co5O16 | 4 | true | 0.193185 | 0.226564 | -0.868213 | false | 0.263741 | -0.401667 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100635 | Li9Mn2Co5O16 | 4 | true | 0.352031 | 0.268456 | -0.868213 | false | 0.270129 | -0.40359 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100652 | Li9Mn2Co5O16 | 4 | true | 0.208345 | 0.230562 | -0.809779 | false | 0.277999 | -0.405947 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100656 | Li9Mn2Co5O16 | 4 | true | 0.196928 | 0.227551 | -0.868213 | false | 0.603074 | -0.492872 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100659 | Li9Mn2Co5O16 | 4 | true | 0.190664 | 0.225899 | -0.848442 | false | 0.256236 | -0.399397 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100657 | Li9Mn2Co5O16 | 4 | true | 0.31943 | 0.259859 | -0.868213 | false | 0.259144 | -0.400279 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100660 | Li9Mn2Co5O16 | 4 | true | 0.199872 | 0.228328 | -0.858463 | false | 0.282613 | -0.407322 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100662 | Li9Mn2Co5O16 | 4 | true | 0.176631 | 0.222199 | -0.868213 | false | 0.271021 | -0.403858 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100674 | Li9Mn2Co5O16 | 4 | true | 0.190902 | 0.225962 | -0.868213 | false | 0.271701 | -0.404062 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100681 | Li9Mn2Co5O16 | 4 | true | 0.176003 | 0.222033 | -0.566228 | false | 0.285454 | -0.408167 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100668 | Li9Mn2Co5O16 | 4 | true | 0.244081 | 0.239987 | -0.868213 | false | 0.29522 | -0.411057 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100665 | Li9Mn2Co5O16 | 4 | true | 0.187208 | 0.224988 | -0.868213 | false | 0.271336 | -0.403953 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100669 | Li9Mn2Co5O16 | 4 | true | 0.195688 | 0.227224 | -0.856296 | false | 0.275873 | -0.405311 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100670 | Li9Mn2Co5O16 | 4 | true | 0.173133 | 0.221276 | -0.868213 | false | 0.282823 | -0.407385 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100672 | Li9Mn2Co5O16 | 4 | true | 0.182123 | 0.223647 | -0.868213 | false | 0.291418 | -0.409934 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100677 | Li9Mn2Co5O16 | 4 | true | 0.167248 | 0.219724 | -0.305343 | false | 0.271686 | -0.404057 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100673 | Li9Mn2Co5O16 | 4 | true | 0.163163 | 0.218647 | -0.620802 | false | 0.277858 | -0.405904 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100675 | Li9Mn2Co5O16 | 4 | true | 0.182041 | 0.223625 | -0.83016 | false | 0.28304 | -0.407449 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100678 | Li9Mn2Co5O16 | 4 | true | 0.160646 | 0.217983 | -0.232826 | false | 0.279221 | -0.406311 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100682 | Li9Mn2Co5O16 | 4 | true | 0.175697 | 0.221952 | -0.243185 | false | 0.272928 | -0.40443 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100671 | Li9Mn2Co5O16 | 4 | true | 0.166184 | 0.219443 | -0.757711 | false | 0.274057 | -0.404768 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100655 | Li9Mn2Co5O16 | 4 | true | 0.195989 | 0.227304 | -0.868213 | false | 0.27929 | -0.406332 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100661 | Li9Mn2Co5O16 | 4 | true | 0.305198 | 0.256105 | -0.868213 | false | 0.260435 | -0.400669 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100667 | Li9Mn2Co5O16 | 4 | true | 0.161622 | 0.21824 | -0.541311 | false | 0.275374 | -0.405162 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100680 | Li9Mn2Co5O16 | 4 | true | 0.153253 | 0.216033 | -0.280561 | false | 0.304082 | -0.413663 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100658 | Li9Mn2Co5O16 | 4 | true | 0.230837 | 0.236494 | -0.868213 | false | 0.224759 | -0.38974 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100679 | Li9Mn2Co5O16 | 4 | true | 0.305005 | 0.256054 | -0.053395 | false | 0.624127 | -0.49788 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100663 | Li9Mn2Co5O16 | 4 | true | 0.192539 | 0.226394 | -0.801248 | false | 0.277645 | -0.405841 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100666 | Li9Mn2Co5O16 | 4 | true | 0.186986 | 0.224929 | -0.868213 | false | 0.258475 | -0.400076 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100683 | Li9Mn2Co5O16 | 4 | true | 0.148791 | 0.214856 | -0.415642 | false | 0.289014 | -0.409223 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100664 | Li9Mn2Co5O16 | 4 | true | 0.195172 | 0.227088 | -0.868213 | false | 0.253067 | -0.398435 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100676 | Li9Mn2Co5O16 | 4 | true | 0.180534 | 0.223228 | -0.861171 | false | 0.27992 | -0.40652 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100757 | Li9Mn2Co5O16 | 4 | true | 0.195669 | 0.227219 | -0.868213 | false | 0.262672 | -0.401345 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100684 | Li9Mn2Co5O16 | 4 | true | 0.161173 | 0.218122 | -0.5969 | false | 0.281104 | -0.406873 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100756 | Li9Mn2Co5O16 | 4 | true | 0.163671 | 0.218781 | -0.24156 | false | 0.296467 | -0.411425 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100755 | Li9Mn2Co5O16 | 4 | true | 0.211484 | 0.23139 | -0.868213 | false | 0.271348 | -0.403956 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100760 | Li9Mn2Co5O16 | 4 | true | 0.170918 | 0.220692 | -0.868213 | false | 0.273793 | -0.404689 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100685 | Li9Mn2Co5O16 | 4 | true | 0.173842 | 0.221463 | -0.815738 | false | 0.267325 | -0.402747 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100686 | Li9Mn2Co5O16 | 4 | true | 0.163757 | 0.218803 | -0.777211 | false | 0.270234 | -0.403622 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100688 | Li9Mn2Co5O16 | 4 | true | 0.155264 | 0.216563 | -0.003831 | false | 0.279992 | -0.406541 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100758 | Li9Mn2Co5O16 | 4 | true | 0.180836 | 0.223307 | -0.718845 | false | 0.302636 | -0.413239 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100759 | Li9Mn2Co5O16 | 4 | true | 0.211243 | 0.231327 | -0.868213 | false | 0.23849 | -0.39398 | ['Co', 'Li', 'Mn', 'O'] |
mp-1100692 | Li9Mn2Co5O16 | 4 | true | 0.194182 | 0.226827 | -0.868213 | false | 0.269457 | -0.403388 | ['Co', 'Li', 'Mn', 'O'] |
mp-1176281 | Li9Mn2Co5O16 | 4 | true | 0.186168 | 0.224714 | -0.868213 | false | 0.237355 | -0.393631 | ['Co', 'Li', 'Mn', 'O'] |
mp-1223174 | Li9La12(SnO6)8 | 4 | false | -0.49624 | 0.104135 | -0.866859 | false | 0.870224 | 2.034144 | ['La', 'Li', 'O', 'Sn'] |
mp-1101531 | Li9Co3P8O29 | 4 | true | -0.545791 | 0.060163 | 0.19862 | true | -0.671353 | 2.082209 | ['Co', 'Li', 'O', 'P'] |
mp-1176987 | Li9Cr4P4(CO7)4 | 5 | false | -0.482845 | -0.086173 | -0.606854 | false | -0.705189 | 0.34528 | ['C', 'Cr', 'Li', 'O', 'P'] |
mp-690979 | Li9Nd6Sb3TeO24 | 5 | false | -0.827363 | 0.105508 | 1.340341 | true | 1.26726 | 1.828225 | ['Li', 'Nd', 'O', 'Sb', 'Te'] |
mp-745203 | Li9Mg12Fe(PO4)12 | 5 | true | -0.033353 | 0.299649 | -0.868213 | false | -0.947712 | 1.94574 | ['Fe', 'Li', 'Mg', 'O', 'P'] |
mp-768514 | Li9TiMn3(PO4)6 | 5 | true | -0.757385 | -0.036193 | -0.619312 | false | -0.654278 | 0.223303 | ['Li', 'Mn', 'O', 'P', 'Ti'] |
mp-850091 | Li9Nb10Cr6(PO4)24 | 5 | false | -0.856331 | -0.250054 | -0.847358 | false | -0.416837 | 4.25537 | ['Cr', 'Li', 'Nb', 'O', 'P'] |
mp-1203004 | Li9Mg3P4O16F3 | 5 | false | -1.062615 | 0.192075 | 2.900235 | true | -0.732305 | 0.828329 | ['F', 'Li', 'Mg', 'O', 'P'] |
mp-744651 | Li9FeCo12(PO4)12 | 5 | true | 0.461313 | 0.196447 | -0.849254 | false | -0.364918 | 1.702071 | ['Co', 'Fe', 'Li', 'O', 'P'] |
mp-780127 | Li9Mn2P4HO18 | 5 | true | -0.59989 | 0.103686 | -0.139454 | false | -0.65523 | 0.787312 | ['H', 'Li', 'Mn', 'O', 'P'] |
mp-849392 | Li9V2P4HO18 | 5 | false | -0.668615 | 0.086895 | -0.59277 | false | -0.700396 | 0.809537 | ['H', 'Li', 'O', 'P', 'V'] |
mp-1101479 | NaLi9Fe10(SiO3)20 | 5 | true | -0.855114 | -0.162472 | 0.977146 | true | -0.296933 | 1.90235 | ['Fe', 'Li', 'Na', 'O', 'Si'] |
mp-776454 | Li9Cr4C8(SO16)2 | 5 | false | -0.117385 | -0.054955 | -0.85826 | false | -0.753164 | 0.484047 | ['C', 'Cr', 'Li', 'O', 'S'] |
mp-504760 | Li10Pb3 | 2 | false | 1.928313 | 1.372664 | -0.868213 | false | 0.459405 | 1.748945 | ['Li', 'Pb'] |
mp-685404 | Li10Fe21O32 | 3 | true | 0.32401 | -0.012109 | -0.868213 | false | 0.741648 | 0.492952 | ['Fe', 'Li', 'O'] |
mp-530628 | Li10Mn21O48 | 3 | true | 0.091039 | -0.086279 | -0.868213 | false | 0.076787 | 1.231989 | ['Li', 'Mn', 'O'] |
mp-1185179 | Li10Co4O9 | 3 | true | 0.219222 | 0.43403 | 0.085613 | true | -0.137873 | -0.022864 | ['Co', 'Li', 'O'] |
mp-1185196 | Li10Ni4O9 | 3 | true | 0.338053 | 0.533656 | -0.868213 | false | -0.301961 | 0.064696 | ['Li', 'Ni', 'O'] |
mp-3297 | Li10Zn4O9 | 3 | false | -0.019754 | 0.667393 | 0.848024 | true | -0.065274 | 0.00904 | ['Li', 'O', 'Zn'] |
mp-752856 | Li10Fe4S9 | 3 | true | 0.968592 | 0.656133 | -0.868213 | false | -0.874544 | 1.043913 | ['Fe', 'Li', 'S'] |
mp-766521 | Li10Cu4S9 | 3 | false | 1.023668 | 0.891211 | -0.868213 | false | -0.722111 | 0.959851 | ['Cu', 'Li', 'S'] |
mp-777562 | Li10Mn3F16 | 3 | true | -1.186712 | 0.453423 | 1.423556 | true | -0.5729 | -0.346418 | ['F', 'Li', 'Mn'] |
mp-28989 | Li10BrN3 | 3 | false | 1.44209 | 0.9711 | 0.057175 | true | -1.334293 | -0.715674 | ['Br', 'Li', 'N'] |
mp-530277 | Li10Co11O21 | 3 | true | 0.30469 | 0.227341 | -0.506576 | false | 0.836408 | 0.782598 | ['Co', 'Li', 'O'] |
mp-772260 | Li10Ti4O13 | 3 | false | -0.915866 | 0.061458 | 1.818168 | true | -0.896231 | 0.627047 | ['Li', 'O', 'Ti'] |
mp-773128 | Li10Co4O9 | 3 | true | 0.246861 | 0.441319 | 0.097259 | true | -0.442521 | 0.156287 | ['Co', 'Li', 'O'] |
mp-530738 | Li10Mg7Cl24 | 3 | false | -0.236118 | 0.946663 | 2.218264 | true | -1.12092 | 3.801696 | ['Cl', 'Li', 'Mg'] |
mp-531323 | Li10Mn23O48 | 3 | true | 0.035836 | -0.125759 | -0.868213 | false | 0.15096 | 1.295624 | ['Li', 'Mn', 'O'] |
mp-1147692 | Li10Zn(PS4)4 | 4 | false | 0.938014 | 0.773196 | 0.952906 | true | -1.166418 | 2.449725 | ['Li', 'P', 'S', 'Zn'] |
mp-1147634 | Li10Zn7(PS4)8 | 4 | false | 1.102363 | 0.792793 | 0.922369 | true | -0.904926 | 5.965751 | ['Li', 'P', 'S', 'Zn'] |
mp-1147686 | Li10Zn(PS4)4 | 4 | false | 0.938774 | 0.773397 | 0.78959 | true | -1.160128 | 2.432528 | ['Li', 'P', 'S', 'Zn'] |
mp-1147627 | Li10Zn7(PS4)8 | 4 | false | 1.100182 | 0.792218 | 0.938348 | true | -0.902654 | 2.358707 | ['Li', 'P', 'S', 'Zn'] |
mp-1147697 | Li10Zn(PS4)4 | 4 | false | 0.938805 | 0.773405 | 0.84105 | true | -1.167193 | 0.606853 | ['Li', 'P', 'S', 'Zn'] |
mp-1147693 | Li10Zn(PS4)4 | 4 | false | 0.937576 | 0.773081 | 1.002469 | true | -1.162066 | 0.59983 | ['Li', 'P', 'S', 'Zn'] |
mp-1147696 | Li10Zn(PS4)4 | 4 | false | 0.937956 | 0.773181 | 0.839289 | true | -1.159278 | 0.596033 | ['Li', 'P', 'S', 'Zn'] |
mp-1147694 | Li10Zn(PS4)4 | 4 | false | 0.936425 | 0.772777 | 0.959338 | true | -1.14052 | 0.570895 | ['Li', 'P', 'S', 'Zn'] |
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