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-1646634 | Li7Mn5O12 | 3 | true | -0.180938 | 0.057851 | -0.350505 | false | 0.071088 | 0.043165 | ['Li', 'Mn', 'O'] |
mp-1650669 | Li7Mn5O12 | 3 | true | -0.177035 | 0.05888 | -0.511451 | false | 0.065955 | 0.045719 | ['Li', 'Mn', 'O'] |
mp-1642906 | Li7Mn5O12 | 3 | true | -0.183272 | 0.057236 | -0.31252 | false | 0.07208 | 0.042673 | ['Li', 'Mn', 'O'] |
mp-1643099 | Li7Mn5O12 | 3 | true | -0.185708 | 0.056593 | -0.050348 | false | 0.087336 | 0.035147 | ['Li', 'Mn', 'O'] |
mp-1646892 | Li7Mn5O12 | 3 | true | -0.182547 | 0.057427 | -0.158277 | false | 0.079278 | 0.03911 | ['Li', 'Mn', 'O'] |
mp-1641274 | Li7Mn5O12 | 3 | true | -0.177723 | 0.058699 | -0.504409 | false | 0.069302 | 0.044052 | ['Li', 'Mn', 'O'] |
mp-1640196 | Li7Mn5O12 | 3 | true | -0.179172 | 0.058317 | -0.551941 | false | 0.087502 | 0.035065 | ['Li', 'Mn', 'O'] |
mp-1643948 | Li7Mn5O12 | 3 | true | -0.183606 | 0.057148 | -0.12835 | false | 0.070521 | 0.043446 | ['Li', 'Mn', 'O'] |
mp-1644153 | Li7Mn5O12 | 3 | true | -0.184881 | 0.056811 | -0.221383 | false | 0.07879 | 0.039352 | ['Li', 'Mn', 'O'] |
mp-1648875 | Li7Mn5O12 | 3 | true | -0.183939 | 0.05706 | -0.34827 | false | 0.086582 | 0.035516 | ['Li', 'Mn', 'O'] |
mp-1642624 | Li7Mn5O12 | 3 | true | -0.180341 | 0.058009 | -0.313129 | false | 0.066241 | 0.045576 | ['Li', 'Mn', 'O'] |
mp-1646544 | Li7Mn5O12 | 3 | true | -0.184205 | 0.05699 | -0.226664 | false | 0.074466 | 0.04149 | ['Li', 'Mn', 'O'] |
mp-1648171 | Li7Mn5O12 | 3 | true | -0.183311 | 0.057225 | -0.323421 | false | 0.06715 | 0.045123 | ['Li', 'Mn', 'O'] |
mp-1666672 | Li7Mn5O12 | 3 | true | -0.179784 | 0.058156 | -0.470486 | false | 0.069957 | 0.043727 | ['Li', 'Mn', 'O'] |
mp-1666665 | Li7Mn5O12 | 3 | true | -0.182397 | 0.057467 | -0.259842 | false | 0.089399 | 0.034136 | ['Li', 'Mn', 'O'] |
mp-1666768 | Li7Mn5O12 | 3 | true | -0.181987 | 0.057575 | -0.391131 | false | 0.054702 | 0.051354 | ['Li', 'Mn', 'O'] |
mp-1650854 | Li7Mn5O12 | 3 | true | -0.181665 | 0.05766 | -0.31015 | false | 0.074426 | 0.041509 | ['Li', 'Mn', 'O'] |
mp-1651001 | Li7Mn5O12 | 3 | true | -0.182707 | 0.057385 | -0.378943 | false | 0.075325 | 0.041064 | ['Li', 'Mn', 'O'] |
mp-1651541 | Li7Mn5O12 | 3 | true | -0.179015 | 0.058358 | -0.337234 | false | 0.075625 | 0.040916 | ['Li', 'Mn', 'O'] |
mp-1652638 | Li7Mn5O12 | 3 | true | -0.181529 | 0.057695 | -0.352401 | false | 0.067187 | 0.045105 | ['Li', 'Mn', 'O'] |
mp-1651187 | Li7Mn5O12 | 3 | true | -0.18278 | 0.057365 | -0.196601 | false | 0.076581 | 0.040443 | ['Li', 'Mn', 'O'] |
mp-1666644 | Li7Mn5O12 | 3 | true | -0.18402 | 0.057038 | -0.458569 | false | 0.077053 | 0.04021 | ['Li', 'Mn', 'O'] |
mp-1667148 | Li7Mn5O12 | 3 | true | -0.178526 | 0.058487 | -0.351656 | false | 0.086361 | 0.035625 | ['Li', 'Mn', 'O'] |
mp-1978357 | Li7Mn5O12 | 3 | true | -0.177868 | 0.058661 | -0.415438 | false | 0.083201 | 0.037178 | ['Li', 'Mn', 'O'] |
mp-1979024 | Li7Co5O12 | 3 | true | 0.31864 | 0.312228 | -0.763263 | false | 0.362845 | -0.042374 | ['Co', 'Li', 'O'] |
mp-34461 | Li7Mn11O24 | 3 | true | -0.057772 | -0.085389 | -0.25219 | false | 0.135286 | 0.019763 | ['Li', 'Mn', 'O'] |
mp-641703 | Li7P3S11 | 3 | false | 0.975119 | 0.757872 | 0.816606 | true | -1.257918 | 1.296236 | ['Li', 'P', 'S'] |
mp-686097 | Li7Nb8O24 | 3 | false | -0.929023 | -0.290342 | -0.868213 | false | 0.417906 | 1.339305 | ['Li', 'Nb', 'O'] |
mp-690528 | Li7(NiO2)8 | 3 | true | 0.613349 | 0.401672 | -0.868213 | false | 0.740358 | -0.473887 | ['Li', 'Ni', 'O'] |
mp-756913 | Li7Ni5O12 | 3 | true | 0.499772 | 0.4418 | -0.868213 | false | 0.441337 | -0.657471 | ['Li', 'Ni', 'O'] |
mp-757736 | Li7(NiO2)9 | 3 | true | 0.667929 | 0.396894 | -0.627708 | false | 0.718844 | -0.37866 | ['Li', 'Ni', 'O'] |
mp-758382 | Li7(CuO2)6 | 3 | false | 0.541879 | 0.552023 | -0.868213 | false | 0.038126 | -0.454964 | ['Cu', 'Li', 'O'] |
mp-766084 | Li7Nb12O24 | 3 | false | -0.816858 | -0.386043 | -0.868213 | false | 1.012079 | 0.171694 | ['Li', 'Nb', 'O'] |
mp-766239 | Li7V5O12 | 3 | false | -0.551928 | -0.035268 | -0.346781 | false | -0.039628 | -0.594728 | ['Li', 'O', 'V'] |
mp-767321 | Li7(SbS)2 | 3 | false | 1.07164 | 1.032777 | -0.625203 | false | -0.73013 | 0.046669 | ['Li', 'S', 'Sb'] |
mp-768059 | Li7Ni9O16 | 3 | true | 0.58462 | 0.382275 | -0.868213 | false | 0.862958 | -0.445835 | ['Li', 'Ni', 'O'] |
mp-768163 | Li7(SbS)2 | 3 | false | 1.059472 | 1.029568 | -0.277514 | false | -0.626926 | -0.023781 | ['Li', 'S', 'Sb'] |
mp-768079 | Li7(NiO2)11 | 3 | true | 0.780922 | 0.396977 | -0.868213 | false | 0.590695 | -0.155408 | ['Li', 'Ni', 'O'] |
mp-771124 | Li7Fe3O8 | 3 | true | 0.069636 | 0.294072 | 0.39078 | true | -0.580573 | -0.09329 | ['Fe', 'Li', 'O'] |
mp-806082 | Li7Fe3O8 | 3 | true | 2.594003 | 0.959819 | -0.868213 | false | -0.580573 | -0.09329 | ['Fe', 'Li', 'O'] |
mp-1245516 | Li7OsN4 | 3 | false | 1.682902 | 0.581583 | -0.842348 | false | 0.289082 | 1.46611 | ['Li', 'N', 'Os'] |
mp-1175029 | Li7Mn2(CoO4)3 | 4 | true | 0.130045 | 0.21344 | -0.868213 | false | 0.196777 | -0.613041 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175033 | Li7Mn2(CoO4)3 | 4 | true | 0.129017 | 0.213169 | -0.868213 | false | 0.202869 | -0.614445 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175056 | Li7Mn2(CoO4)3 | 4 | true | 0.126885 | 0.212607 | -0.754799 | false | 0.205342 | -0.615013 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175048 | Li7Mn2(CoO4)3 | 4 | true | 0.129919 | 0.213407 | -0.785743 | false | 0.178656 | -0.608826 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175064 | Li7Mn2(CoO4)3 | 4 | true | 0.128066 | 0.212919 | -0.653641 | false | 0.187098 | -0.610797 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175067 | Li7Mn2(CoO4)3 | 4 | true | 0.16488 | 0.222627 | -0.868213 | false | 0.182614 | -0.609752 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175082 | Li7Mn2(CoO4)3 | 4 | true | 0.17203 | 0.224513 | -0.868213 | false | 0.208753 | -0.615795 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175061 | Li7Mn2(CoO4)3 | 4 | true | 0.144804 | 0.217333 | -0.80592 | false | 0.184169 | -0.610115 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175068 | Li7Mn2(CoO4)3 | 4 | true | 0.149457 | 0.21856 | -0.868213 | false | 0.183869 | -0.610045 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175094 | Li7Mn2(CoO4)3 | 4 | true | 0.163429 | 0.222245 | -0.868213 | false | 0.164191 | -0.605421 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175052 | Li7Mn2(CoO4)3 | 4 | true | 0.157995 | 0.220812 | -0.868213 | false | 0.145577 | -0.600985 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175054 | Li7Mn2(CoO4)3 | 4 | true | 0.137914 | 0.215516 | -0.868213 | false | 0.204183 | -0.614747 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175065 | Li7Mn2(CoO4)3 | 4 | true | 0.170073 | 0.223997 | -0.709705 | false | 0.166176 | -0.605891 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175080 | Li7Mn2(CoO4)3 | 4 | true | 0.126423 | 0.212485 | -0.699616 | false | 0.193407 | -0.612261 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175083 | Li7Mn2(CoO4)3 | 4 | true | 0.150677 | 0.218882 | -0.837947 | false | 0.184841 | -0.610271 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175086 | Li7Mn2(CoO4)3 | 4 | true | 0.139265 | 0.215872 | -0.868213 | false | 0.18912 | -0.611267 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175058 | Li7Mn2(CoO4)3 | 4 | true | 0.130846 | 0.213652 | -0.761028 | false | 0.204182 | -0.614747 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175059 | Li7Mn2(CoO4)3 | 4 | true | 0.134341 | 0.214573 | -0.868213 | false | 0.201391 | -0.614105 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175063 | Li7Mn2(CoO4)3 | 4 | true | 0.10475 | 0.206769 | -0.106953 | false | 0.203546 | -0.614601 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175075 | Li7Mn2(CoO4)3 | 4 | true | 0.158662 | 0.220988 | -0.868213 | false | 0.191171 | -0.611743 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175187 | Li7Mn4CoO12 | 4 | true | -0.115497 | 0.099635 | -0.335202 | false | 0.182869 | -0.619333 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175057 | Li7Mn2(CoO4)3 | 4 | true | 0.344189 | 0.269916 | -0.868213 | false | 0.169634 | -0.606707 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175066 | Li7Mn2(CoO4)3 | 4 | true | 0.16112 | 0.221636 | -0.868213 | false | 0.166444 | -0.605954 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175079 | Li7Mn2(CoO4)3 | 4 | true | 0.147995 | 0.218174 | -0.868213 | false | 0.201368 | -0.6141 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175088 | Li7Mn2(CoO4)3 | 4 | true | 0.118326 | 0.21035 | -0.868213 | false | 0.182537 | -0.609734 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175186 | Li7Mn4CoO12 | 4 | true | -0.094512 | 0.105169 | -0.368177 | false | 0.142964 | -0.610022 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175060 | Li7Mn2(CoO4)3 | 4 | true | 0.117015 | 0.210004 | -0.868213 | false | 0.239331 | -0.622719 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175076 | Li7Mn2(CoO4)3 | 4 | true | 0.157231 | 0.22061 | -0.868213 | false | 0.206579 | -0.615297 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175078 | Li7Mn2(CoO4)3 | 4 | true | 0.114269 | 0.20928 | -0.497435 | false | 0.241708 | -0.623251 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175184 | Li7Mn4CoO12 | 4 | true | -0.09727 | 0.104442 | -0.429251 | false | 0.126851 | -0.606183 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175049 | Li7Mn2(CoO4)3 | 4 | true | 0.129709 | 0.213352 | -0.778836 | false | 0.204697 | -0.614865 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175050 | Li7Mn2(CoO4)3 | 4 | true | 0.142057 | 0.216608 | -0.868213 | false | 0.212604 | -0.616676 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175069 | Li7Mn2(CoO4)3 | 4 | true | 0.130316 | 0.213512 | -0.862458 | false | 0.21292 | -0.616748 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175085 | Li7Mn2(CoO4)3 | 4 | true | 0.130229 | 0.213489 | -0.623375 | false | 0.183676 | -0.61 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175053 | Li7Mn2(CoO4)3 | 4 | true | 0.136631 | 0.215177 | -0.868213 | false | 0.212604 | -0.616676 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175062 | Li7Mn2(CoO4)3 | 4 | true | 0.156948 | 0.220536 | -0.868213 | false | 0.173604 | -0.607641 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175095 | Li7Mn2(CoO4)3 | 4 | true | 0.123064 | 0.211599 | -0.868213 | false | 0.196712 | -0.613026 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175195 | Li7Mn4CoO12 | 4 | true | -0.106886 | 0.101905 | -0.301077 | false | 0.151513 | -0.612041 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175194 | Li7Mn4CoO12 | 4 | true | -0.089637 | 0.106454 | -0.302566 | false | 0.137673 | -0.608767 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175199 | Li7Mn4CoO12 | 4 | true | -0.098279 | 0.104175 | -0.256524 | false | 0.144662 | -0.610424 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175250 | Li7Mn4CoO12 | 4 | true | 0.208202 | 0.185003 | -0.560473 | false | 0.14042 | -0.609419 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175263 | Li7Mn4CoO12 | 4 | true | -0.071183 | 0.111321 | -0.427152 | false | 0.126544 | -0.606109 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175198 | Li7Mn4CoO12 | 4 | true | -0.104799 | 0.102456 | -0.424173 | false | 0.150831 | -0.61188 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175206 | Li7Mn4CoO12 | 4 | true | -0.099079 | 0.103965 | -0.310353 | false | 0.139722 | -0.609254 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175217 | Li7Mn4CoO12 | 4 | true | -0.098277 | 0.104176 | -0.29654 | false | 0.154737 | -0.612798 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175244 | Li7Mn4CoO12 | 4 | true | -0.076666 | 0.109875 | -0.573811 | false | 0.138277 | -0.60891 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175201 | Li7Mn4CoO12 | 4 | true | -0.078032 | 0.109515 | -0.556884 | false | 0.141983 | -0.60979 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175216 | Li7Mn4CoO12 | 4 | true | -0.079553 | 0.109114 | -0.542936 | false | 0.153512 | -0.612511 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175252 | Li7Mn4CoO12 | 4 | true | -0.073864 | 0.110614 | -0.485112 | false | 0.134629 | -0.608042 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175253 | Li7Mn4CoO12 | 4 | true | -0.072956 | 0.110854 | -0.439882 | false | 0.147694 | -0.611141 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175262 | Li7Mn4CoO12 | 4 | true | -0.041683 | 0.119101 | -0.868213 | false | 0.091274 | -0.597537 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175273 | Li7Mn4CoO12 | 4 | true | -0.037695 | 0.120153 | -0.868213 | false | 0.091089 | -0.597491 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175226 | Li7Mn4CoO12 | 4 | true | -0.099453 | 0.103866 | -0.517612 | false | 0.155707 | -0.613026 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175276 | Li7Mn4CoO12 | 4 | true | -0.038082 | 0.120051 | -0.868213 | false | 0.10478 | -0.600847 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175219 | Li7Mn4CoO12 | 4 | true | -0.101262 | 0.103389 | -0.399865 | false | 0.168067 | -0.615912 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175221 | Li7Mn4CoO12 | 4 | true | -0.081927 | 0.108488 | -0.566905 | false | 0.167031 | -0.615671 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175230 | Li7Mn4CoO12 | 4 | true | -0.09776 | 0.104312 | -0.57178 | false | 0.144297 | -0.610338 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175245 | Li7Mn4CoO12 | 4 | true | -0.092278 | 0.105758 | -0.529665 | false | 0.140929 | -0.60954 | ['Co', 'Li', 'Mn', 'O'] |
mp-1175251 | Li7Mn4CoO12 | 4 | true | -0.041452 | 0.119162 | -0.868213 | false | 0.105404 | -0.600999 | ['Co', 'Li', 'Mn', 'O'] |
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