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-867108 | LiDyTl2 | 3 | false | 1.737664 | -8.210883 | -0.868213 | false | 4.149046 | -0.959554 | ['Dy', 'Li', 'Tl'] |
mp-867121 | LiY2Pt | 3 | false | 1.376157 | -4.953169 | -0.868213 | false | 2.274799 | -0.983432 | ['Li', 'Pt', 'Y'] |
mp-867115 | LiCd2Rh | 3 | false | 1.86002 | -2.811304 | -0.868213 | false | 3.067908 | -1.045638 | ['Cd', 'Li', 'Rh'] |
mp-867139 | LiEr2Tc | 3 | false | 2.092077 | -4.887717 | -0.868213 | false | 3.357665 | -0.997844 | ['Er', 'Li', 'Tc'] |
mp-867148 | LiHfRh2 | 3 | false | 1.324041 | -5.06186 | -0.868213 | false | 4.847806 | -1.067544 | ['Hf', 'Li', 'Rh'] |
mp-867170 | LiGaPt2 | 3 | false | 1.385429 | 0.665253 | -0.868213 | false | 7.07619 | -1.081907 | ['Ga', 'Li', 'Pt'] |
mp-867136 | LiTm2Co | 3 | true | 2.047545 | 0.772554 | -0.868213 | false | 3.393447 | -1.018713 | ['Co', 'Li', 'Tm'] |
mp-867145 | LiHo2Ga | 3 | false | 1.835211 | 0.997633 | -0.868213 | false | 2.371925 | -0.97096 | ['Ga', 'Ho', 'Li'] |
mp-867167 | LiCa2Tl | 3 | false | 1.780606 | -3.043307 | -0.868213 | false | 0.341467 | -0.910114 | ['Ca', 'Li', 'Tl'] |
mp-867162 | LiTm2Rh | 3 | false | 1.585455 | 0.633939 | -0.868213 | false | 3.705902 | -1.007047 | ['Li', 'Rh', 'Tm'] |
mp-867160 | LiCd2Au | 3 | false | 1.767319 | -4.75426 | -0.868213 | false | 4.075734 | -1.029276 | ['Au', 'Cd', 'Li'] |
mp-867196 | LiCd2Pd | 3 | false | 1.746686 | 1.345933 | -0.868213 | false | 2.966405 | -1.04001 | ['Cd', 'Li', 'Pd'] |
mp-867223 | LiGa2Ni | 3 | true | 1.73824 | -0.70511 | -0.868213 | false | 2.07179 | -1.094528 | ['Ga', 'Li', 'Ni'] |
mp-867235 | LiY2Ir | 3 | false | 1.575372 | 0.230346 | -0.868213 | false | 2.473799 | -0.995451 | ['Ir', 'Li', 'Y'] |
mp-867244 | LiGdAu2 | 3 | false | 1.387793 | -8.754806 | -0.868213 | false | 5.068405 | -1.001858 | ['Au', 'Gd', 'Li'] |
mp-867252 | LiZn2Ni | 3 | true | 1.890183 | 1.296753 | -0.868213 | false | 1.968264 | -1.09739 | ['Li', 'Ni', 'Zn'] |
mp-867197 | LiGaNi2 | 3 | true | 1.828251 | -0.720465 | -0.868213 | false | 2.329512 | -1.109491 | ['Ga', 'Li', 'Ni'] |
mp-867251 | LiZn2Pt | 3 | false | 1.553689 | 1.186902 | -0.868213 | false | 4.200763 | -1.079013 | ['Li', 'Pt', 'Zn'] |
mp-867210 | LiCa2Hg | 3 | false | 1.84497 | 1.573436 | -0.868213 | false | 0.348191 | -0.915145 | ['Ca', 'Hg', 'Li'] |
mp-867220 | LiTm2Ir | 3 | false | 1.469013 | 0.496302 | -0.868213 | false | 5.028611 | -1.00959 | ['Ir', 'Li', 'Tm'] |
mp-867222 | LiCa2Ir | 3 | false | 1.915347 | -2.948295 | -0.868213 | false | 1.03056 | -0.985002 | ['Ca', 'Ir', 'Li'] |
mp-867208 | Sr2LiIn | 3 | false | 1.907483 | 1.457676 | -0.868213 | false | -0.112064 | -0.840663 | ['In', 'Li', 'Sr'] |
mp-867250 | LiZn2Pd | 3 | false | 1.659411 | 1.279433 | -0.868213 | false | 2.417574 | -1.079149 | ['Li', 'Pd', 'Zn'] |
mp-867198 | LiGaPd2 | 3 | false | 1.396417 | -2.427078 | -0.868213 | false | 3.426719 | -1.081684 | ['Ga', 'Li', 'Pd'] |
mp-867204 | LiCd2Ag | 3 | false | 1.942316 | -2.587922 | -0.868213 | false | 2.664678 | -1.027557 | ['Ag', 'Cd', 'Li'] |
mp-867206 | LiCd2Pt | 3 | false | 1.7213 | 1.274589 | -0.868213 | false | 4.374383 | -1.039216 | ['Cd', 'Li', 'Pt'] |
mp-867253 | LiZn2Ir | 3 | false | 1.749498 | -3.263657 | -0.868213 | false | 4.329581 | -1.083356 | ['Ir', 'Li', 'Zn'] |
mp-867211 | LiCa2In | 3 | false | 1.750329 | -0.831611 | -0.868213 | false | -0.558196 | -0.906122 | ['Ca', 'In', 'Li'] |
mp-867255 | LiZn2Au | 3 | false | 1.740211 | -3.137398 | -0.868213 | false | 3.868091 | -1.069765 | ['Au', 'Li', 'Zn'] |
mp-867265 | LiTm2Os | 3 | false | 1.801463 | -7.097801 | -0.868213 | false | 5.050573 | -1.011097 | ['Li', 'Os', 'Tm'] |
mp-867269 | LiHo2Os | 3 | false | 1.842464 | -6.762065 | -0.868213 | false | 4.746563 | -1.005124 | ['Ho', 'Li', 'Os'] |
mp-867293 | LiCo2Si | 3 | true | 1.742709 | 0.431481 | -0.868213 | false | 1.777998 | -1.123739 | ['Co', 'Li', 'Si'] |
mp-867272 | LiAlCu2 | 3 | false | 1.928262 | 1.042445 | -0.868213 | false | 1.105713 | -1.095253 | ['Al', 'Cu', 'Li'] |
mp-867287 | LiInAu2 | 3 | false | 1.667714 | -7.170879 | -0.868213 | false | 5.658864 | -1.035605 | ['Au', 'In', 'Li'] |
mp-867295 | LiCeTl2 | 3 | false | 1.721787 | -8.132293 | -0.868213 | false | 3.463534 | -0.939601 | ['Ce', 'Li', 'Tl'] |
mp-867267 | LiHo2Pt | 3 | false | 1.332379 | -6.787964 | -0.868213 | false | 4.352364 | -0.989467 | ['Ho', 'Li', 'Pt'] |
mp-867258 | LiZnPd2 | 3 | false | 1.525206 | 0.959684 | -0.868213 | false | 3.382778 | -1.082866 | ['Li', 'Pd', 'Zn'] |
mp-867285 | LiTb2Ir | 3 | false | 1.560668 | 0.497935 | -0.868213 | false | 4.319979 | -0.995276 | ['Ir', 'Li', 'Tb'] |
mp-867289 | LiHo2Tc | 3 | false | 2.106919 | -4.732333 | -0.868213 | false | 3.244936 | -0.995733 | ['Ho', 'Li', 'Tc'] |
mp-867364 | LiTmPd2 | 3 | false | 1.361568 | -4.153818 | -0.868213 | false | 3.713135 | -1.037735 | ['Li', 'Pd', 'Tm'] |
mp-867313 | LiTmPt2 | 3 | false | 1.028423 | -8.380236 | -0.868213 | false | 6.481003 | -1.03616 | ['Li', 'Pt', 'Tm'] |
mp-867803 | LiCa2Cd | 3 | false | 1.964977 | 1.557911 | -0.868213 | false | -0.601808 | -0.902578 | ['Ca', 'Cd', 'Li'] |
mp-867776 | LiDy2Os | 3 | false | 1.860599 | -6.626783 | -0.868213 | false | 4.583198 | -1.001955 | ['Dy', 'Li', 'Os'] |
mp-867806 | LiLa2Ir | 3 | false | 1.755321 | 0.506018 | -0.868213 | false | 2.889342 | -0.954707 | ['Ir', 'La', 'Li'] |
mp-867805 | LiCa2Ga | 3 | false | 1.841131 | 0.000094 | -0.868213 | false | -0.839858 | -0.936763 | ['Ca', 'Ga', 'Li'] |
mp-867810 | LiYHg2 | 3 | false | 1.615212 | -6.843853 | -0.868213 | false | 3.759765 | -0.983798 | ['Hg', 'Li', 'Y'] |
mp-867807 | LiYTl2 | 3 | false | 1.741964 | -7.363373 | -0.868213 | false | 3.244741 | -0.956801 | ['Li', 'Tl', 'Y'] |
mp-867812 | LiAlNi2 | 3 | true | 1.766072 | -0.395165 | -0.868213 | false | 1.257157 | -1.109265 | ['Al', 'Li', 'Ni'] |
mp-867820 | LiAlPd2 | 3 | false | 1.270485 | -2.118592 | -0.868213 | false | 2.599689 | -1.083195 | ['Al', 'Li', 'Pd'] |
mp-867813 | LiLa2Os | 3 | false | 2.110527 | 0.42641 | -0.868213 | false | 3.025888 | -0.962851 | ['La', 'Li', 'Os'] |
mp-867822 | LiYAu2 | 3 | false | 1.336852 | -7.093842 | -0.868213 | false | 4.320556 | -1.008087 | ['Au', 'Li', 'Y'] |
mp-867829 | LiVRh2 | 3 | false | 1.668531 | -2.717879 | -0.868213 | false | 3.275243 | -1.091902 | ['Li', 'Rh', 'V'] |
mp-867834 | LiHfPt2 | 3 | false | 1.046241 | -9.103108 | -0.868213 | false | 7.532406 | -1.054256 | ['Hf', 'Li', 'Pt'] |
mp-867877 | LiCdAu2 | 3 | false | 1.740037 | -6.972378 | -0.868213 | false | 5.733714 | -1.038381 | ['Au', 'Cd', 'Li'] |
mp-867902 | LiSiRh2 | 3 | false | 1.251703 | 0.268493 | -0.868213 | false | 3.116528 | -1.10081 | ['Li', 'Rh', 'Si'] |
mp-867903 | LiLuAu2 | 3 | false | 1.304658 | -8.391043 | -0.868213 | false | 6.018644 | -1.021523 | ['Au', 'Li', 'Lu'] |
mp-867872 | LiCdAg2 | 3 | false | 1.999889 | -2.663474 | -0.868213 | false | 2.828166 | -1.036738 | ['Ag', 'Cd', 'Li'] |
mp-867888 | LiTm2Pt | 3 | false | 1.292613 | -7.123374 | -0.868213 | false | 4.666643 | -0.996779 | ['Li', 'Pt', 'Tm'] |
mp-867873 | LiTm2Al | 3 | false | 1.905805 | -3.715224 | -0.868213 | false | 1.978661 | -0.972376 | ['Al', 'Li', 'Tm'] |
mp-867913 | LiHo2Ir | 3 | false | 1.519381 | 0.492876 | -0.868213 | false | 4.702915 | -1.00283 | ['Ho', 'Ir', 'Li'] |
mp-867905 | LiLa2Ru | 3 | false | 2.036978 | 0.548675 | -0.868213 | false | 1.905715 | -0.957788 | ['La', 'Li', 'Ru'] |
mp-867969 | LiGdHg2 | 3 | false | 1.652496 | -8.508419 | -0.868213 | false | 4.446993 | -0.977407 | ['Gd', 'Hg', 'Li'] |
mp-9472 | LiAg2Ge | 3 | false | 1.997267 | 1.179247 | -0.868213 | false | 2.591064 | -1.052391 | ['Ag', 'Ge', 'Li'] |
mp-867924 | LiCdPd2 | 3 | false | 1.691986 | 1.025411 | -0.868213 | false | 3.435664 | -1.058883 | ['Cd', 'Li', 'Pd'] |
mp-867927 | LiVIr2 | 3 | false | 1.532855 | -6.848097 | -0.868213 | false | 7.092607 | -1.090365 | ['Ir', 'Li', 'V'] |
mp-867926 | LiInPd2 | 3 | false | 1.497404 | -3.208203 | -0.868213 | false | 3.441012 | -1.057747 | ['In', 'Li', 'Pd'] |
mp-973058 | LiLu2Al | 3 | false | 1.916227 | -4.141724 | -0.868213 | false | 2.258475 | -0.979855 | ['Al', 'Li', 'Lu'] |
mp-973286 | LiLu2Pd | 3 | false | 1.636888 | -5.392549 | -0.868213 | false | 3.739389 | -1.000287 | ['Li', 'Lu', 'Pd'] |
mp-972993 | LiSmAu2 | 3 | false | 1.42126 | 0.957888 | -0.868213 | false | 4.82558 | -0.997049 | ['Au', 'Li', 'Sm'] |
mp-973561 | LiCe2Ru | 3 | false | 2.071124 | 0.412469 | -0.868213 | false | 2.471184 | -0.988061 | ['Ce', 'Li', 'Ru'] |
mp-973841 | LiHo2Al | 3 | false | 1.899111 | -3.392067 | -0.868213 | false | 1.751064 | -0.964207 | ['Al', 'Ho', 'Li'] |
mp-974059 | LiDyIn2 | 3 | false | 1.635703 | -3.798411 | -0.868213 | false | 2.24229 | -0.968699 | ['Dy', 'In', 'Li'] |
mp-973831 | LiHoPd2 | 3 | false | 1.384299 | -3.985362 | -0.868213 | false | 3.353991 | -1.02765 | ['Ho', 'Li', 'Pd'] |
mp-973874 | LiLa2Al | 3 | false | 1.931121 | -2.928592 | -0.868213 | false | 0.54146 | -0.910321 | ['Al', 'La', 'Li'] |
mp-974634 | LiAg2Pd | 3 | false | 1.958428 | -2.881535 | -0.868213 | false | 3.231526 | -1.054238 | ['Ag', 'Li', 'Pd'] |
mp-973826 | LiHoSn2 | 3 | false | 1.734309 | 0.942489 | -0.868213 | false | 2.107991 | -0.953764 | ['Ho', 'Li', 'Sn'] |
mp-973979 | LiFePd2 | 3 | true | 1.90503 | 0.536844 | -0.868213 | false | 3.18191 | -1.082777 | ['Fe', 'Li', 'Pd'] |
mp-975368 | LiCa2Mg | 3 | false | 2.14233 | 1.556051 | -0.868213 | false | -1.539083 | -0.869722 | ['Ca', 'Li', 'Mg'] |
mp-974642 | LiAg2Pb | 3 | false | 2.036674 | 1.255677 | -0.868213 | false | 3.556816 | -1.010801 | ['Ag', 'Li', 'Pb'] |
mp-976260 | LiTm2Au | 3 | false | 1.611602 | -6.973764 | -0.868213 | false | 4.151392 | -0.9772 | ['Au', 'Li', 'Tm'] |
mp-976259 | LiTmRh2 | 3 | false | 1.551995 | 0.416078 | -0.868213 | false | 4.25114 | -1.05702 | ['Li', 'Rh', 'Tm'] |
mp-976330 | LiZr2Ir | 3 | false | 1.56396 | -5.320293 | -0.868213 | false | 3.409484 | -1.031306 | ['Ir', 'Li', 'Zr'] |
mp-976793 | LiEr2Ga | 3 | false | 1.760129 | -3.921889 | -0.868213 | false | 2.501705 | -0.974898 | ['Er', 'Ga', 'Li'] |
mp-976600 | LiHf2Tc | 3 | false | 1.916885 | -6.562516 | -0.868213 | false | 4.859599 | -1.037045 | ['Hf', 'Li', 'Tc'] |
mp-976743 | LiEr2In | 3 | false | 1.801338 | -4.718778 | -0.868213 | false | 2.57659 | -0.950329 | ['Er', 'In', 'Li'] |
mp-976426 | LiLuHg2 | 3 | false | 1.653735 | -8.122404 | -0.868213 | false | 5.252691 | -0.99715 | ['Hg', 'Li', 'Lu'] |
mp-976744 | LiEr2Tl | 3 | false | 1.976899 | 1.086976 | -0.868213 | false | 3.444878 | -0.944044 | ['Er', 'Li', 'Tl'] |
mp-976595 | LiLu2In | 3 | false | 1.832344 | -5.313302 | -0.868213 | false | 2.867152 | -0.956685 | ['In', 'Li', 'Lu'] |
mp-976339 | LiTm2In | 3 | false | 1.806713 | -4.890813 | -0.868213 | false | 2.677564 | -0.95386 | ['In', 'Li', 'Tm'] |
mp-976596 | LiLu2Ga | 3 | false | 1.773571 | -4.521045 | -0.868213 | false | 2.901495 | -0.98521 | ['Ga', 'Li', 'Lu'] |
mp-976598 | LiHf2Ir | 3 | false | 1.582863 | -0.267907 | -0.868213 | false | 6.440093 | -1.038787 | ['Hf', 'Ir', 'Li'] |
mp-977391 | LiNd2Os | 3 | false | 2.045439 | -6.206096 | -0.868213 | false | 3.435953 | -0.97608 | ['Li', 'Nd', 'Os'] |
mp-977405 | LiLu2Rh | 3 | false | 1.514243 | -5.510181 | -0.868213 | false | 4.038805 | -1.012885 | ['Li', 'Lu', 'Rh'] |
mp-977380 | LiMg2Pd | 3 | false | 1.666594 | 1.227544 | -0.868213 | false | 0.191159 | -1.045719 | ['Li', 'Mg', 'Pd'] |
mp-977393 | LiLu2Ru | 3 | false | 1.773938 | 0.53941 | -0.868213 | false | 4.09276 | -1.015618 | ['Li', 'Lu', 'Ru'] |
mp-977399 | LiMgPd2 | 3 | false | 1.492982 | 0.924295 | -0.868213 | false | 2.196518 | -1.071743 | ['Li', 'Mg', 'Pd'] |
mp-977386 | LiLu2Tc | 3 | false | 2.081236 | -5.493277 | -0.868213 | false | 3.90085 | -1.010492 | ['Li', 'Lu', 'Tc'] |
mp-977374 | LiLuPd2 | 3 | false | 1.33608 | -4.375164 | -0.868213 | false | 3.94388 | -1.041902 | ['Li', 'Lu', 'Pd'] |
mp-977418 | LiMgAu2 | 3 | false | 1.534481 | 1.21175 | -0.868213 | false | 4.789413 | -1.051261 | ['Au', 'Li', 'Mg'] |
mp-977440 | LiTiPt2 | 3 | false | 1.186377 | -6.729472 | -0.868213 | false | 6.106279 | -1.072456 | ['Li', 'Pt', 'Ti'] |
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