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-1080712 | LiSmSn2 | 3 | false | 1.596172 | 0.897288 | -0.868213 | false | 1.999612 | -0.676441 | ['Li', 'Sm', 'Sn'] |
mp-1080784 | LiHoSn2 | 3 | false | 1.726588 | 0.940452 | -0.868213 | false | 2.327588 | -0.695202 | ['Ho', 'Li', 'Sn'] |
mp-1095586 | LiGaH4 | 3 | false | 2.005789 | 0.730645 | 2.347725 | true | -1.187646 | -0.846345 | ['Ga', 'H', 'Li'] |
mp-1091364 | LiDySn2 | 3 | false | 1.695515 | 0.930756 | -0.868213 | false | 2.296664 | -0.694953 | ['Dy', 'Li', 'Sn'] |
mp-1095674 | Cs2LiBr3 | 3 | false | 0.01355 | 1.124723 | 2.075532 | true | 0.075778 | 0.033875 | ['Br', 'Cs', 'Li'] |
mp-1105216 | LiTaO3 | 3 | false | -1.103798 | -0.413138 | 1.666566 | true | 1.08392 | -0.816921 | ['Li', 'O', 'Ta'] |
mp-1176636 | LiMnF3 | 3 | true | -1.096293 | 0.27401 | 1.541235 | true | -0.429706 | -0.504561 | ['F', 'Li', 'Mn'] |
mp-1176705 | LiFeF3 | 3 | true | -0.855145 | 0.377764 | 1.480906 | true | -0.305026 | -0.540778 | ['F', 'Fe', 'Li'] |
mp-1176635 | LiMnF3 | 3 | true | -1.105648 | 0.271543 | 2.170461 | true | 0.028286 | -0.93756 | ['F', 'Li', 'Mn'] |
mp-1180548 | LiIO3 | 3 | false | 1.019941 | 0.747147 | 0.827101 | true | 0.016007 | -0.776098 | ['I', 'Li', 'O'] |
mp-1209665 | Rb3LiPb4 | 3 | false | 1.914181 | 1.32905 | -0.401423 | false | 1.29451 | 0.604136 | ['Li', 'Pb', 'Rb'] |
mp-1212210 | K3LiPb4 | 3 | false | 1.915994 | 1.313116 | -0.456335 | false | 1.09173 | 0.460013 | ['K', 'Li', 'Pb'] |
mp-1211100 | LiB3H8 | 3 | false | 1.847245 | 0.838534 | -0.868213 | false | -2.068648 | -0.547137 | ['B', 'H', 'Li'] |
mp-1213704 | Cs3LiPb4 | 3 | false | 1.899734 | 1.333134 | -0.355989 | false | 1.446895 | 0.763985 | ['Cs', 'Li', 'Pb'] |
mp-19013 | LiV2O5 | 3 | false | -0.461712 | -0.208439 | -0.686345 | false | -0.514882 | -0.630645 | ['Li', 'O', 'V'] |
mp-19438 | LiMnO4 | 3 | true | 0.626922 | 0.211631 | 0.158875 | true | -0.707954 | -0.789747 | ['Li', 'Mn', 'O'] |
mp-20754 | LiCeSn2 | 3 | false | 1.618865 | 0.814896 | -0.868213 | false | 1.819618 | -0.668269 | ['Ce', 'Li', 'Sn'] |
mp-2466847 | LiVF4 | 3 | false | -1.296384 | 0.295071 | 0.787288 | true | -0.818913 | -0.729944 | ['F', 'Li', 'V'] |
mp-28237 | RbLiBr2 | 3 | false | 0.051194 | 1.105185 | 2.058198 | true | -0.294451 | -0.507446 | ['Br', 'Li', 'Rb'] |
mp-28243 | RbLiCl2 | 3 | false | -0.235598 | 0.998853 | 2.617615 | true | -0.811454 | -0.620916 | ['Cl', 'Li', 'Rb'] |
mp-553988 | Cs2LiF3 | 3 | false | -1.028317 | -1.729749 | 2.998008 | true | 0.299902 | -0.484965 | ['Cs', 'F', 'Li'] |
mp-571390 | Cs2LiCl3 | 3 | false | -0.149647 | -1.937071 | 2.648356 | true | -0.381662 | -0.094795 | ['Cl', 'Cs', 'Li'] |
mp-752721 | LiCu2F5 | 3 | false | -0.164374 | 0.055168 | -0.868213 | false | 0.031389 | -0.659737 | ['Cu', 'F', 'Li'] |
mp-754721 | LiVF4 | 3 | false | -1.305037 | 0.292789 | 0.569331 | true | -0.616353 | -0.784331 | ['F', 'Li', 'V'] |
mp-754221 | LiFe2F5 | 3 | true | -0.776959 | 0.303163 | 1.296329 | true | -0.300733 | -0.617497 | ['F', 'Fe', 'Li'] |
mp-755136 | LiFeF3 | 3 | true | -0.8345 | 0.383208 | 1.559923 | true | 0.081593 | -0.941499 | ['F', 'Fe', 'Li'] |
mp-755646 | LiCuO | 3 | false | 0.700292 | 0.663814 | -0.074927 | false | -0.008719 | -1.01622 | ['Cu', 'Li', 'O'] |
mp-755299 | LiFeF4 | 3 | true | -0.870634 | 0.43704 | 1.275001 | true | -0.535521 | -0.786977 | ['F', 'Fe', 'Li'] |
mp-755415 | LiVF4 | 3 | false | -1.283859 | 0.298374 | 0.544549 | true | -0.704353 | -0.762203 | ['F', 'Li', 'V'] |
mp-755191 | LiMnF4 | 3 | true | -1.004288 | 0.368328 | 0.23647 | true | -0.539396 | -0.789044 | ['F', 'Li', 'Mn'] |
mp-758252 | LiV2F5 | 3 | false | -1.102713 | 0.172723 | 0.711047 | true | -0.315604 | -0.641975 | ['F', 'Li', 'V'] |
mp-756535 | LiFeF4 | 3 | true | -0.82473 | 0.449146 | 1.903414 | true | -0.607457 | -0.76991 | ['F', 'Fe', 'Li'] |
mp-758605 | LiMnF4 | 3 | true | -0.954037 | 0.38158 | -0.813503 | false | -0.494601 | -0.79903 | ['F', 'Li', 'Mn'] |
mp-758302 | LiAgF2 | 3 | false | -0.129494 | -0.671115 | 0.209048 | true | 0.791112 | -0.941071 | ['Ag', 'F', 'Li'] |
mp-758456 | LiMnF3 | 3 | true | -1.067076 | 0.281715 | 1.539813 | true | -0.251269 | -0.900343 | ['F', 'Li', 'Mn'] |
mp-763331 | LiMn2F5 | 3 | true | -1.105802 | 0.166243 | 1.291793 | true | -0.44466 | -0.579864 | ['F', 'Li', 'Mn'] |
mp-775154 | LiMnF4 | 3 | true | -0.957872 | 0.380569 | 0.429239 | true | -0.514362 | 0.092259 | ['F', 'Li', 'Mn'] |
mp-974887 | LiNdSn2 | 3 | false | 1.55376 | 0.882508 | -0.868213 | false | 1.872272 | -0.669075 | ['Li', 'Nd', 'Sn'] |
mp-977148 | LiBeH3 | 3 | false | 1.816923 | 1.099099 | 2.15658 | true | -1.998577 | -0.522669 | ['Be', 'H', 'Li'] |
mp-996986 | LiCuO2 | 3 | false | 0.625433 | 0.550068 | -0.804634 | false | 0.060877 | -0.982287 | ['Cu', 'Li', 'O'] |
mp-28463 | LiNb3Cl8 | 3 | false | 0.497684 | -1.37191 | -0.27054 | false | -0.333087 | 2.118989 | ['Cl', 'Li', 'Nb'] |
mp-559612 | KLiO | 3 | false | 0.372434 | 0.864385 | 0.74348 | true | -0.931607 | -0.733492 | ['K', 'Li', 'O'] |
mp-753216 | LiAg2F4 | 3 | false | 0.242413 | -0.784921 | -0.868213 | false | 0.738361 | -0.648055 | ['Ag', 'F', 'Li'] |
mp-758646 | LiVF5 | 3 | false | -1.140701 | 0.385628 | 0.521392 | true | -0.75149 | -0.122022 | ['F', 'Li', 'V'] |
mp-770681 | LiCr10O15 | 3 | false | -0.286186 | -0.463511 | -0.730153 | false | 0.486161 | 0.404605 | ['Cr', 'Li', 'O'] |
mp-973391 | LiSiB6 | 3 | false | 1.949273 | 0.333325 | 0.303638 | true | -0.934777 | -0.423933 | ['B', 'Li', 'Si'] |
mp-1176621 | LiMnF4 | 3 | true | -1.037939 | 0.359453 | 0.047492 | true | -0.079979 | -1.056066 | ['F', 'Li', 'Mn'] |
mp-1206227 | Li(YSe2)3 | 3 | false | 2.79624 | -2.052709 | -0.828941 | false | -2.317607 | 11.282529 | ['Li', 'Se', 'Y'] |
mp-1207296 | Li(HoS2)3 | 3 | false | 2.897835 | 1.126966 | -0.868213 | false | -2.28619 | 8.750966 | ['Ho', 'Li', 'S'] |
mp-1212055 | Li(MoO2)3 | 3 | false | 2.572163 | 0.356285 | -0.868213 | false | -2.26193 | 3.833326 | ['Li', 'Mo', 'O'] |
mp-1278428 | LiV3O4 | 3 | false | -0.303324 | -0.316671 | -0.868213 | false | 0.604988 | -0.777118 | ['Li', 'O', 'V'] |
mp-1407616 | LiFeF3 | 3 | true | -0.307066 | 0.522308 | 2.012426 | true | -0.314347 | -0.887983 | ['F', 'Fe', 'Li'] |
mp-4960 | Li(PrGe3)2 | 3 | false | 1.709358 | 0.724581 | -0.868213 | false | 1.658473 | -0.680378 | ['Ge', 'Li', 'Pr'] |
mp-753031 | LiCu5F12 | 3 | false | 0.037435 | 0.031268 | -0.868213 | false | 0.574818 | -0.663251 | ['Cu', 'F', 'Li'] |
mp-753675 | LiVF4 | 3 | false | -1.379721 | 0.273093 | 0.598446 | true | -0.188754 | -0.867961 | ['F', 'Li', 'V'] |
mp-752699 | LiAgF3 | 3 | false | -0.043306 | -0.394643 | -0.868213 | false | 0.389759 | -0.85789 | ['Ag', 'F', 'Li'] |
mp-753279 | LiAg5F12 | 3 | false | 0.579638 | -0.672734 | -0.868213 | false | 1.008787 | -0.532077 | ['Ag', 'F', 'Li'] |
mp-754378 | LiV3O4 | 3 | false | -0.346446 | -0.328044 | -0.868213 | false | 0.696587 | -0.790292 | ['Li', 'O', 'V'] |
mp-755956 | LiNi3O4 | 3 | true | 0.691046 | 0.30504 | -0.868213 | false | 1.446117 | -0.837437 | ['Li', 'Ni', 'O'] |
mp-755398 | LiCo3O4 | 3 | true | 0.63269 | 0.142406 | -0.868213 | false | 1.095662 | -1.017674 | ['Co', 'Li', 'O'] |
mp-756849 | LiFeF4 | 3 | true | -0.924451 | 0.422847 | 1.284412 | true | -0.093438 | -1.053847 | ['F', 'Fe', 'Li'] |
mp-772508 | LiFe3O4 | 3 | true | 0.381869 | -0.069172 | -0.868213 | false | 0.871662 | -1.011858 | ['Fe', 'Li', 'O'] |
mp-867744 | LiTi3O4 | 3 | false | -0.969521 | -0.36306 | -0.868213 | false | 0.66178 | -1.021094 | ['Li', 'O', 'Ti'] |
mp-867534 | LiAg2F4 | 3 | false | 0.268518 | -0.778036 | -0.868213 | false | 0.753034 | -0.063269 | ['Ag', 'F', 'Li'] |
mp-1103453 | Sr2LiGe3 | 3 | false | 1.561846 | 1.023981 | -0.868213 | false | 0.457932 | -0.372943 | ['Ge', 'Li', 'Sr'] |
mp-1016165 | LiMn8O16 | 3 | true | 0.117885 | -0.221787 | -0.868213 | false | 0.170384 | 0.443857 | ['Li', 'Mn', 'O'] |
mp-1190045 | Li(SeO3)2 | 3 | false | 0.972422 | 0.551169 | -0.868213 | false | -0.492019 | -0.408391 | ['Li', 'O', 'Se'] |
mp-1188173 | Li(SeO3)2 | 3 | false | 0.852988 | 0.519671 | -0.722434 | false | -0.67461 | -0.325804 | ['Li', 'O', 'Se'] |
mp-1202801 | LiPO3 | 3 | false | -0.800679 | 0.041178 | 2.912152 | true | -0.940709 | 2.276444 | ['Li', 'O', 'P'] |
mp-726416 | Li(SeO3)2 | 3 | false | 0.833877 | 0.514631 | -0.668402 | false | -0.55079 | -0.38349 | ['Li', 'O', 'Se'] |
mp-760194 | LiVF6 | 3 | false | -1.067837 | 0.441968 | 1.271141 | true | -1.117272 | 1.931069 | ['F', 'Li', 'V'] |
mp-760825 | LiCu3F10 | 3 | false | 0.322907 | 0.252192 | -0.868213 | false | -0.231722 | -0.146259 | ['Cu', 'F', 'Li'] |
mp-757527 | LiTi6O12 | 3 | false | -1.537818 | -0.526111 | -0.868213 | false | 0.076492 | -0.031809 | ['Li', 'O', 'Ti'] |
mp-759851 | LiV2F7 | 3 | false | -1.299836 | 0.224719 | 0.660603 | true | -0.623341 | 0.407338 | ['F', 'Li', 'V'] |
mp-765496 | LiV3F10 | 3 | false | -1.275252 | 0.201442 | 0.364509 | true | -0.437771 | -0.154772 | ['F', 'Li', 'V'] |
mp-777477 | LiFeF4 | 3 | true | -0.880379 | 0.43447 | 1.270532 | true | -0.398338 | -0.394449 | ['F', 'Fe', 'Li'] |
mp-1189549 | LiH2N | 3 | false | 1.526882 | 0.705587 | 1.532839 | true | -1.706072 | -0.8712 | ['H', 'Li', 'N'] |
mp-1191880 | Sr2LiGe3 | 3 | false | 1.560949 | 1.023745 | -0.868213 | false | 0.399611 | 0.526959 | ['Ge', 'Li', 'Sr'] |
mp-1199729 | LiMn2O4 | 3 | true | -0.082859 | -0.142112 | -0.868213 | false | 0.177578 | 2.648119 | ['Li', 'Mn', 'O'] |
mp-17491 | Ba2LiGe3 | 3 | false | 1.55064 | 0.999115 | -0.81567 | false | 0.767736 | 0.717975 | ['Ba', 'Ge', 'Li'] |
mp-15521 | Ba2LiSi3 | 3 | false | 1.738004 | 0.932137 | -0.805852 | false | -0.018306 | 0.646667 | ['Ba', 'Li', 'Si'] |
mp-15551 | Sr2LiSi3 | 3 | false | 1.726141 | 0.950919 | -0.868213 | false | -0.454885 | 0.426225 | ['Li', 'Si', 'Sr'] |
mp-3348 | LiBIr | 3 | false | 1.524421 | -4.064534 | -0.868213 | false | 3.803677 | -0.811336 | ['B', 'Ir', 'Li'] |
mp-29829 | LiAuS | 3 | false | 1.193349 | 0.95197 | 0.20187 | true | 2.097722 | -0.58085 | ['Au', 'Li', 'S'] |
mp-752891 | LiTi3O6 | 3 | false | -1.441523 | -0.445444 | -0.868213 | false | 0.01658 | -0.611855 | ['Li', 'O', 'Ti'] |
mp-752527 | Li(FeO2)3 | 3 | true | 1.416432 | 0.258271 | -0.868213 | false | 0.250157 | -0.609218 | ['Fe', 'Li', 'O'] |
mp-641353 | LiMn2O4 | 3 | true | -0.077088 | -0.14059 | -0.868213 | false | 0.195785 | 2.62196 | ['Li', 'Mn', 'O'] |
mp-752666 | LiAg2F4 | 3 | false | 0.22961 | -0.788297 | -0.868213 | false | 0.741299 | -0.648588 | ['Ag', 'F', 'Li'] |
mp-853967 | LiCuS | 3 | false | 1.178394 | 0.868204 | 0.2817 | true | -0.217362 | -0.663926 | ['Cu', 'Li', 'S'] |
mp-1015814 | LiMg2Al | 3 | false | 2.439912 | 1.53553 | -0.868213 | false | -1.482585 | -0.980221 | ['Al', 'Li', 'Mg'] |
mp-1093560 | LiYPd2 | 3 | false | 3.385611 | -2.545934 | -0.108849 | false | -2.16591 | 1.647292 | ['Li', 'Pd', 'Y'] |
mp-1093570 | LiFePt2 | 3 | true | 4.199948 | 1.012782 | -0.352739 | false | -1.829763 | 0.900824 | ['Fe', 'Li', 'Pt'] |
mp-1093585 | LiCu2Ni | 3 | true | 4.26518 | 0.047777 | -0.868213 | false | -2.155061 | 0.508156 | ['Cu', 'Li', 'Ni'] |
mp-1093564 | LiMgGa2 | 3 | false | 3.523915 | 1.772077 | -0.868213 | false | -2.3038 | 1.428975 | ['Ga', 'Li', 'Mg'] |
mp-1093623 | LiHg2Pt | 3 | false | 3.116359 | -8.709232 | -0.868213 | false | -1.715123 | 1.199069 | ['Hg', 'Li', 'Pt'] |
mp-1093610 | LiY2Tl | 3 | false | 4.364823 | -4.287675 | -0.828129 | false | -2.23156 | 3.259666 | ['Li', 'Tl', 'Y'] |
mp-1093630 | LiGe2Rh | 3 | false | 3.982865 | 1.245818 | -0.736585 | false | -2.041309 | 0.511444 | ['Ge', 'Li', 'Rh'] |
mp-1093601 | LiCa2Zn | 3 | false | 3.539107 | 1.951312 | -0.868213 | false | -2.392962 | 2.974081 | ['Ca', 'Li', 'Zn'] |
mp-1093642 | LiScRh2 | 3 | false | 4.173416 | 0.97323 | -0.868213 | false | -2.145623 | 1.036326 | ['Li', 'Rh', 'Sc'] |
mp-1093675 | LiSiAu2 | 3 | false | 3.371309 | 1.420907 | -0.782086 | false | -1.894087 | 0.999377 | ['Au', 'Li', 'Si'] |
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