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-1185224 | LiCe2Os | 3 | false | 2.105514 | 0.279877 | -0.868213 | false | 3.603117 | -0.987579 | ['Ce', 'Li', 'Os'] |
mp-1185229 | LiCe2Ga | 3 | false | 1.93303 | -3.428765 | -0.868213 | false | 1.593763 | -0.959089 | ['Ce', 'Ga', 'Li'] |
mp-1185244 | LiY2Ga | 3 | false | 1.812859 | 0.714442 | -0.868213 | false | 0.504187 | -0.967225 | ['Ga', 'Li', 'Y'] |
mp-1185246 | LiYb2Cd | 3 | false | 1.997041 | -4.865502 | -0.868213 | false | 2.836926 | -0.958851 | ['Cd', 'Li', 'Yb'] |
mp-1185293 | LiAc2Tl | 3 | false | 1.89176 | -11.95042 | -0.868213 | false | 2.863058 | -0.840841 | ['Ac', 'Li', 'Tl'] |
mp-1185309 | LiAg2Sb | 3 | false | 1.89402 | -3.097697 | -0.868213 | false | 2.361827 | -1.011298 | ['Ag', 'Li', 'Sb'] |
mp-1185316 | LiGa2Co | 3 | true | 1.894329 | -0.754798 | -0.868213 | false | 2.155838 | -1.096951 | ['Co', 'Ga', 'Li'] |
mp-1185324 | LiDy2In | 3 | false | 1.779703 | -4.442514 | -0.868213 | false | 2.325139 | -0.941674 | ['Dy', 'In', 'Li'] |
mp-1185327 | LiDy2Tl | 3 | false | 1.861869 | -6.640525 | -0.868213 | false | 3.19562 | -0.936546 | ['Dy', 'Li', 'Tl'] |
mp-1185335 | LiEu2Tl | 3 | false | 1.848814 | -7.592618 | -0.868213 | false | 2.078738 | -0.877857 | ['Eu', 'Li', 'Tl'] |
mp-1185362 | LiGd2In | 3 | false | 1.788409 | -6.096265 | -0.868213 | false | 2.083493 | -0.933409 | ['Gd', 'In', 'Li'] |
mp-1185372 | LiLu2Pt | 3 | false | 1.273177 | -7.557749 | -0.868213 | false | 5.173105 | -1.007653 | ['Li', 'Lu', 'Pt'] |
mp-1185375 | LiLaAu2 | 3 | false | 1.431406 | 0.944793 | -0.868213 | false | 4.1023 | -0.976231 | ['Au', 'La', 'Li'] |
mp-1185373 | LiLu2Co | 3 | true | 2.021339 | 0.759958 | -0.868213 | false | 3.731804 | -1.024408 | ['Co', 'Li', 'Lu'] |
mp-1185392 | LiGd2Al | 3 | false | 1.939623 | -4.90693 | -0.868213 | false | 1.357721 | -0.949085 | ['Al', 'Gd', 'Li'] |
mp-1185322 | LiCuAu2 | 3 | false | 1.838264 | 1.112791 | -0.868213 | false | 6.368559 | -1.070324 | ['Au', 'Cu', 'Li'] |
mp-1185323 | LiHfAu2 | 3 | false | 1.54354 | -8.84099 | -0.868213 | false | 6.810525 | -1.038716 | ['Au', 'Hf', 'Li'] |
mp-1185341 | LiEu2Cd | 3 | false | 1.974803 | -5.160282 | -0.868213 | false | 1.191656 | -0.871222 | ['Cd', 'Eu', 'Li'] |
mp-1185354 | LiGd2Os | 3 | false | 1.985136 | -8.249985 | -0.868213 | false | 4.178685 | -0.992706 | ['Gd', 'Li', 'Os'] |
mp-1185369 | LiLuIn2 | 3 | false | 1.681138 | -4.228764 | -0.868213 | false | 2.529075 | -0.976098 | ['In', 'Li', 'Lu'] |
mp-1185381 | LiIn2Ni | 3 | true | 1.870931 | -2.28563 | -0.868213 | false | 2.599245 | -1.052718 | ['In', 'Li', 'Ni'] |
mp-1185407 | LiPrAu2 | 3 | false | 1.458302 | 0.96208 | -0.868213 | false | 4.332807 | -0.984116 | ['Au', 'Li', 'Pr'] |
mp-1185409 | LiPmGa2 | 3 | false | 1.628594 | -2.007695 | -0.868213 | false | 1.427301 | -1.000677 | ['Ga', 'Li', 'Pm'] |
mp-1185328 | LiHo2In | 3 | false | 1.900105 | 1.034254 | -0.868213 | false | 2.446784 | -0.945805 | ['Ho', 'In', 'Li'] |
mp-1185329 | LiAcRh2 | 3 | false | 1.783758 | -6.644226 | -0.668131 | false | 4.058404 | -1.023341 | ['Ac', 'Li', 'Rh'] |
mp-1185339 | LiEu2Ir | 3 | false | 1.855072 | -7.53149 | -0.868213 | false | 3.547662 | -0.971681 | ['Eu', 'Ir', 'Li'] |
mp-1185361 | LiNbRu2 | 3 | false | 2.061054 | -3.573378 | -0.868213 | false | 3.387081 | -1.07384 | ['Li', 'Nb', 'Ru'] |
mp-1185364 | LiMgAg2 | 3 | false | 1.921681 | 1.376384 | -0.868213 | false | 1.580189 | -1.044391 | ['Ag', 'Li', 'Mg'] |
mp-1185365 | LiMg2Au | 3 | false | 1.664981 | 1.365374 | -0.868213 | false | 1.536348 | -1.037901 | ['Au', 'Li', 'Mg'] |
mp-1185367 | LiInHg2 | 3 | false | 1.939157 | -6.922715 | -0.868213 | false | 4.156101 | -0.98645 | ['Hg', 'In', 'Li'] |
mp-1185393 | LiLuRh2 | 3 | false | 1.488407 | -4.505565 | -0.868213 | false | 4.465412 | -1.05981 | ['Li', 'Lu', 'Rh'] |
mp-1185403 | LiPr2Ga | 3 | false | 1.814461 | -3.251612 | -0.868213 | false | 1.264594 | -0.933402 | ['Ga', 'Li', 'Pr'] |
mp-1185421 | LiZnNi2 | 3 | true | 2.015695 | 1.001959 | -0.868213 | false | 2.232296 | -1.109772 | ['Li', 'Ni', 'Zn'] |
mp-1185422 | LiZn2Ag | 3 | false | 1.991024 | -0.951064 | -0.868213 | false | 2.118053 | -1.067853 | ['Ag', 'Li', 'Zn'] |
mp-1185330 | LiEr2Au | 3 | false | 1.626638 | -6.796347 | -0.868213 | false | 4.011725 | -0.973259 | ['Au', 'Er', 'Li'] |
mp-1185347 | LiDy2Ga | 3 | false | 1.753538 | -3.641657 | -0.868213 | false | 2.271798 | -0.968626 | ['Dy', 'Ga', 'Li'] |
mp-1185359 | LiMg2Cd | 3 | false | 2.02181 | 1.627321 | -0.868213 | false | -0.138957 | -1.010808 | ['Cd', 'Li', 'Mg'] |
mp-1185363 | LiMgHg2 | 3 | false | 1.84133 | 1.722704 | -0.868213 | false | 3.710363 | -1.015099 | ['Hg', 'Li', 'Mg'] |
mp-1185366 | LiMg2In | 3 | false | 2.030843 | 1.499198 | -0.868213 | false | -0.209652 | -1.00046 | ['In', 'Li', 'Mg'] |
mp-1185376 | LiLaTl2 | 3 | false | 1.779917 | 1.167621 | -0.868213 | false | 3.217699 | -0.927464 | ['La', 'Li', 'Tl'] |
mp-1185379 | LiIn2Ag | 3 | false | 1.947054 | -2.945527 | -0.868213 | false | 2.183111 | -1.002652 | ['Ag', 'In', 'Li'] |
mp-1185398 | LiPm2Pb | 3 | false | 1.817678 | 0.921177 | -0.868213 | false | 2.507692 | -0.915769 | ['Li', 'Pb', 'Pm'] |
mp-1185400 | LiPr2Rh | 3 | false | 1.835428 | 0.65446 | -0.868213 | false | 1.989074 | -0.958819 | ['Li', 'Pr', 'Rh'] |
mp-1185408 | LiPrZn2 | 3 | false | 1.885783 | 1.367017 | -0.868213 | false | 1.246325 | -1.000099 | ['Li', 'Pr', 'Zn'] |
mp-1185325 | LiCa2Pb | 3 | false | 1.736227 | 1.297916 | -0.868213 | false | 0.325255 | -0.90505 | ['Ca', 'Li', 'Pb'] |
mp-1185326 | LiDy2Pt | 3 | false | 1.350181 | -6.65277 | -0.868213 | false | 4.229139 | -0.987233 | ['Dy', 'Li', 'Pt'] |
mp-1185331 | LiDy2Rh | 3 | false | 1.646805 | 0.630407 | -0.868213 | false | 3.258864 | -0.996293 | ['Dy', 'Li', 'Rh'] |
mp-1185334 | LiCeHg2 | 3 | false | 1.715435 | -7.581019 | -0.868213 | false | 3.809349 | -0.959793 | ['Ce', 'Hg', 'Li'] |
mp-1185358 | LiMgCd2 | 3 | false | 1.996271 | 1.669219 | -0.868213 | false | 1.118532 | -1.011698 | ['Cd', 'Li', 'Mg'] |
mp-1185385 | LiLuTl2 | 3 | false | 1.864467 | 1.219972 | -0.868213 | false | 4.534125 | -0.969107 | ['Li', 'Lu', 'Tl'] |
mp-1185389 | LiNd2Rh | 3 | false | 1.795634 | 0.64793 | -0.868213 | false | 2.149098 | -0.963822 | ['Li', 'Nd', 'Rh'] |
mp-1185390 | LiNdZn2 | 3 | false | 1.879013 | 1.367214 | -0.868213 | false | 1.35858 | -1.004242 | ['Li', 'Nd', 'Zn'] |
mp-1185399 | LiPm2Sn | 3 | false | 1.678343 | 0.862893 | -0.868213 | false | 1.756318 | -0.925534 | ['Li', 'Pm', 'Sn'] |
mp-1185405 | LiLu2Re | 3 | false | 2.174292 | 0.414784 | -0.868213 | false | 5.16582 | -1.011144 | ['Li', 'Lu', 'Re'] |
mp-1185413 | LiPm2Co | 3 | true | 2.271291 | -3.280905 | -0.868213 | false | 2.034059 | -0.986856 | ['Co', 'Li', 'Pm'] |
mp-1185418 | LiZnPt2 | 3 | false | 1.526273 | 0.830669 | -0.868213 | false | 7.074409 | -1.083322 | ['Li', 'Pt', 'Zn'] |
mp-1185419 | LiSiPt2 | 3 | false | 1.393593 | 0.493519 | -0.868213 | false | 6.588992 | -1.088222 | ['Li', 'Pt', 'Si'] |
mp-1185360 | LiMnIr2 | 3 | true | 1.958538 | -0.03 | -0.868213 | false | 7.190307 | -1.090532 | ['Ir', 'Li', 'Mn'] |
mp-1185371 | LiLu2Au | 3 | false | 1.596897 | -7.406892 | -0.868213 | false | 4.495997 | -0.984511 | ['Au', 'Li', 'Lu'] |
mp-1185374 | LiMgPb2 | 3 | false | 1.985903 | 1.267149 | -0.868213 | false | 2.578924 | -0.957164 | ['Li', 'Mg', 'Pb'] |
mp-1185377 | LiMg2Ni | 3 | true | 2.056417 | 1.286811 | -0.868213 | false | -0.469747 | -1.058434 | ['Li', 'Mg', 'Ni'] |
mp-1185378 | LiGd2Tl | 3 | false | 1.871561 | -8.294016 | -0.868213 | false | 2.949834 | -0.929137 | ['Gd', 'Li', 'Tl'] |
mp-1185391 | LiPr2Al | 3 | false | 1.944191 | -2.8757 | -0.868213 | false | 0.711742 | -0.923664 | ['Al', 'Li', 'Pr'] |
mp-1185397 | LiNdAu2 | 3 | false | 1.441639 | 0.959667 | -0.868213 | false | 4.498627 | -0.988601 | ['Au', 'Li', 'Nd'] |
mp-1185346 | LiCeZn2 | 3 | false | 1.970539 | 1.306571 | -0.868213 | false | 1.328898 | -1.005882 | ['Ce', 'Li', 'Zn'] |
mp-1185349 | LiEu2Hg | 3 | false | 1.842751 | -7.317742 | -0.868213 | false | 2.198513 | -0.889609 | ['Eu', 'Hg', 'Li'] |
mp-1185368 | LiMgIn2 | 3 | false | 1.994407 | 1.407716 | -0.868213 | false | 0.889937 | -0.991925 | ['In', 'Li', 'Mg'] |
mp-1185386 | LiGdTl2 | 3 | false | 1.796238 | -9.023459 | -0.868213 | false | 3.877067 | -0.950326 | ['Gd', 'Li', 'Tl'] |
mp-1185394 | LiGd2Ga | 3 | false | 1.811271 | -0.383754 | -0.868213 | false | 2.011476 | -0.960557 | ['Ga', 'Gd', 'Li'] |
mp-1185396 | LiPr2Ir | 3 | false | 1.705269 | -6.24837 | -0.868213 | false | 3.065853 | -0.961377 | ['Ir', 'Li', 'Pr'] |
mp-1185415 | LiNdIn2 | 3 | false | 1.604549 | -3.620657 | -0.868213 | false | 1.643355 | -0.94394 | ['In', 'Li', 'Nd'] |
mp-1185424 | LiSc2Ga | 3 | false | 1.765514 | -0.652399 | -0.868213 | false | -0.097776 | -1.016535 | ['Ga', 'Li', 'Sc'] |
mp-1185425 | LiSiAg2 | 3 | false | 2.069488 | 1.140099 | -0.868213 | false | 2.086969 | -1.063116 | ['Ag', 'Li', 'Si'] |
mp-1185445 | LiTbIn2 | 3 | false | 1.626887 | -3.745944 | -0.868213 | false | 2.148415 | -0.96573 | ['In', 'Li', 'Tb'] |
mp-1185481 | LiSmIn2 | 3 | false | 1.606911 | -3.642878 | -0.868213 | false | 1.798198 | -0.94996 | ['In', 'Li', 'Sm'] |
mp-1185423 | LiZrPd2 | 3 | false | 1.532308 | -3.211416 | -0.868213 | false | 2.773804 | -1.04929 | ['Li', 'Pd', 'Zr'] |
mp-1185435 | LiYbAu2 | 3 | false | 1.299284 | -8.279992 | -0.868213 | false | 5.895043 | -1.019072 | ['Au', 'Li', 'Yb'] |
mp-1185441 | LiSm2Ga | 3 | false | 1.784227 | -3.30731 | -0.868213 | false | 1.714575 | -0.95151 | ['Ga', 'Li', 'Sm'] |
mp-1185432 | LiZnCd2 | 3 | false | 1.996609 | -1.670861 | -0.868213 | false | 2.238436 | -1.037341 | ['Cd', 'Li', 'Zn'] |
mp-1185434 | LiSnPt2 | 3 | false | 1.52426 | 0.630674 | -0.868213 | false | 6.622868 | -1.056942 | ['Li', 'Pt', 'Sn'] |
mp-1185437 | LiThHg2 | 3 | false | 1.797754 | -10.651894 | -0.868213 | false | 4.873445 | -0.95997 | ['Hg', 'Li', 'Th'] |
mp-1185450 | LiTh2Tc | 3 | false | 2.1802 | -10.60212 | -0.868213 | false | 4.187871 | -0.965572 | ['Li', 'Tc', 'Th'] |
mp-1185462 | LiThRh2 | 3 | false | 1.474835 | -7.076616 | -0.868213 | false | 4.368732 | -1.030683 | ['Li', 'Rh', 'Th'] |
mp-1185484 | LiPmIn2 | 3 | false | 1.610496 | -3.627982 | -0.868213 | false | 1.793567 | -0.953646 | ['In', 'Li', 'Pm'] |
mp-1185433 | LiSc2Pd | 3 | false | 1.682094 | -1.509856 | -0.868213 | false | 0.518795 | -1.022781 | ['Li', 'Pd', 'Sc'] |
mp-1185447 | LiYbPd2 | 3 | false | 1.340356 | -4.261568 | -0.868213 | false | 3.843992 | -1.03979 | ['Li', 'Pd', 'Yb'] |
mp-1185454 | LiScIn2 | 3 | false | 1.69052 | -2.290904 | -0.868213 | false | 1.18756 | -0.993827 | ['In', 'Li', 'Sc'] |
mp-1185443 | LiYbPb2 | 3 | false | 1.772798 | -8.982058 | -0.868213 | false | 3.973089 | -0.943987 | ['Li', 'Pb', 'Yb'] |
mp-1185458 | LiSm2Al | 3 | false | 1.918751 | -2.930134 | -0.868213 | false | 1.105374 | -0.941134 | ['Al', 'Li', 'Sm'] |
mp-1185472 | LiGdIn2 | 3 | false | 3.014773 | -4.262734 | -0.868213 | false | 1.946593 | -0.954597 | ['Gd', 'In', 'Li'] |
mp-1185428 | LiTi2Ir | 3 | false | 1.625461 | 0.042426 | -0.868213 | false | 3.02539 | -1.067215 | ['Ir', 'Li', 'Ti'] |
mp-1185430 | LiZnCu2 | 3 | false | 2.054181 | 1.255968 | -0.868213 | false | 2.032917 | -1.097282 | ['Cu', 'Li', 'Zn'] |
mp-1185439 | LiYbTl2 | 3 | false | 1.771479 | -8.531832 | -0.868213 | false | 4.472478 | -0.967617 | ['Li', 'Tl', 'Yb'] |
mp-1185444 | LiScRh2 | 3 | false | 1.518315 | 0.273004 | -0.868213 | false | 2.418452 | -1.070369 | ['Li', 'Rh', 'Sc'] |
mp-1185466 | LiThPt2 | 3 | false | 1.069978 | -11.151372 | -0.868213 | false | 6.153763 | -1.005161 | ['Li', 'Pt', 'Th'] |
mp-1185609 | LiGd2Rh | 3 | false | 4.470919 | -5.501797 | -0.868213 | false | 2.809155 | -0.982176 | ['Gd', 'Li', 'Rh'] |
mp-1187085 | Sr2LiGa | 3 | false | 1.934836 | -1.15136 | -0.868213 | false | -0.31169 | -0.870388 | ['Ga', 'Li', 'Sr'] |
mp-1187087 | Sr2LiCd | 3 | false | 2.001419 | 1.612955 | -0.868213 | false | -0.126889 | -0.841431 | ['Cd', 'Li', 'Sr'] |
mp-1187090 | Sr2LiRh | 3 | false | 2.127206 | -2.021371 | -0.783914 | false | 0.437044 | -0.927718 | ['Li', 'Rh', 'Sr'] |
mp-11947 | LiAlAg2 | 3 | false | 1.910051 | -1.717139 | -0.868213 | false | 1.967744 | -1.059246 | ['Ag', 'Al', 'Li'] |
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