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-569685 | LiZnP | 3 | false | 1.941176 | 0.087425 | -0.868213 | false | 0.028227 | -1.107512 | ['Li', 'P', 'Zn'] |
mp-5920 | LiAlGe | 3 | false | 1.851167 | 1.03296 | -0.83253 | false | -0.269952 | -1.085476 | ['Al', 'Ge', 'Li'] |
mp-631309 | LiHg2Os | 3 | false | 2.92913 | -8.867234 | -0.868213 | false | 6.933653 | -1.034866 | ['Hg', 'Li', 'Os'] |
mp-631269 | LiIrRh | 3 | false | 2.814203 | -5.348229 | -0.868213 | false | 5.441476 | -1.116266 | ['Ir', 'Li', 'Rh'] |
mp-631319 | LiTiRe | 3 | false | 3.285308 | -4.145873 | -0.868213 | false | 2.54004 | -1.085016 | ['Li', 'Re', 'Ti'] |
mp-631338 | LiZrSc | 3 | false | 3.417054 | -1.093584 | -0.868213 | false | -0.495778 | -1.010099 | ['Li', 'Sc', 'Zr'] |
mp-631339 | Na2LiTa | 3 | false | 3.528401 | -1.7456 | -0.868213 | false | 0.317474 | -0.972717 | ['Li', 'Na', 'Ta'] |
mp-631449 | LiTaBe | 3 | false | 3.624092 | 0.800527 | -0.868213 | false | 2.042371 | -1.099365 | ['Be', 'Li', 'Ta'] |
mp-631545 | LiBBr2 | 3 | false | 2.669083 | 1.38222 | -0.46121 | false | -0.392016 | -0.96909 | ['B', 'Br', 'Li'] |
mp-7575 | LiZnN | 3 | false | 1.705816 | 0.013103 | -0.517003 | false | 0.82069 | -1.15495 | ['Li', 'N', 'Zn'] |
mp-757153 | LiFe5O8 | 3 | true | 0.380324 | -0.098569 | -0.155772 | false | 0.788293 | -0.835209 | ['Fe', 'Li', 'O'] |
mp-961645 | LiAlGe | 3 | false | 2.225666 | 1.131726 | -0.868213 | false | -0.184357 | -1.091097 | ['Al', 'Ge', 'Li'] |
mp-9124 | LiZnAs | 3 | false | 1.601606 | 1.203008 | -0.494591 | false | 0.66624 | -1.08936 | ['As', 'Li', 'Zn'] |
mp-961684 | LiCaAs | 3 | false | 0.90891 | -0.555539 | 0.402562 | true | -0.694409 | -1.02258 | ['As', 'Ca', 'Li'] |
mp-961683 | LiMgP | 3 | false | 1.719324 | 1.126111 | 0.441969 | true | -1.244613 | -1.080296 | ['Li', 'Mg', 'P'] |
mp-961703 | NaLiPt | 3 | false | 2.383025 | -3.387998 | -0.494049 | false | 1.365072 | -1.051823 | ['Li', 'Na', 'Pt'] |
mp-961698 | LiZnP | 3 | false | 1.595994 | -0.003609 | -0.868077 | false | -0.073175 | -1.102074 | ['Li', 'P', 'Zn'] |
mp-961723 | LiCaRh | 3 | false | 2.260443 | -1.111006 | -0.69684 | false | 0.270048 | -1.065087 | ['Ca', 'Li', 'Rh'] |
mp-962070 | LiScSi | 3 | false | 2.235638 | 0.806568 | -0.566905 | false | -1.102006 | -1.055797 | ['Li', 'Sc', 'Si'] |
mp-962066 | NaLiTe | 3 | false | 1.292252 | 1.261162 | 0.590727 | true | -0.408937 | -0.997517 | ['Li', 'Na', 'Te'] |
mp-962069 | LiAgTe | 3 | false | 1.554856 | 1.185226 | -0.868213 | false | 1.600282 | -1.048908 | ['Ag', 'Li', 'Te'] |
mp-973970 | Li(Mg4Al3)4 | 3 | false | 2.158175 | 1.378122 | -0.868213 | false | -1.137254 | 0.444625 | ['Al', 'Li', 'Mg'] |
mp-707454 | Li(H3N)4 | 3 | false | 1.713343 | 0.693413 | -0.868213 | false | -2.082194 | 3.274343 | ['H', 'Li', 'N'] |
mp-1017626 | LiCaF3 | 3 | false | -1.81257 | -0.030405 | 3.543274 | true | -0.33964 | -1.08434 | ['Ca', 'F', 'Li'] |
mp-10250 | BaLiF3 | 3 | false | -1.944535 | 0.470614 | 3.576452 | true | 1.011067 | -1.05473 | ['Ba', 'F', 'Li'] |
mp-1099259 | LiMg3O4 | 3 | false | -0.728974 | 0.382046 | -0.868213 | false | -0.398842 | -1.01946 | ['Li', 'Mg', 'O'] |
mp-1104791 | Li(Mg2Si)4 | 3 | false | 2.074405 | 1.267753 | -0.868213 | false | -1.189176 | -0.475653 | ['Li', 'Mg', 'Si'] |
mp-1147702 | Li(CuO)3 | 3 | false | 0.959801 | 0.587751 | -0.868213 | false | 1.56528 | -1.044788 | ['Cu', 'Li', 'O'] |
mp-1147674 | Li(CuN)3 | 3 | false | 2.727679 | -0.324746 | -0.868213 | false | 1.537987 | -1.048223 | ['Cu', 'Li', 'N'] |
mp-1183284 | BaLiO3 | 3 | false | 0.352579 | 0.548225 | -0.868213 | false | 0.617025 | -1.040844 | ['Ba', 'Li', 'O'] |
mp-1184939 | KLiO3 | 3 | false | 1.346823 | 0.85614 | -0.868213 | false | -0.936608 | -1.046303 | ['K', 'Li', 'O'] |
mp-1185203 | LiCdO3 | 3 | false | 1.427991 | 0.88749 | -0.868213 | false | 0.980015 | -1.084279 | ['Cd', 'Li', 'O'] |
mp-1185261 | LiNiO3 | 3 | true | 1.395579 | 0.599233 | -0.868213 | false | -0.165111 | -1.082628 | ['Li', 'Ni', 'O'] |
mp-1185310 | LiErO3 | 3 | false | -0.288238 | 0.225518 | -0.868213 | false | 2.539583 | -1.096959 | ['Er', 'Li', 'O'] |
mp-1185356 | LiMgO3 | 3 | false | 0.729587 | 0.664395 | -0.868213 | false | -1.103364 | -1.057305 | ['Li', 'Mg', 'O'] |
mp-1185357 | LiLaO3 | 3 | false | -0.450831 | 0.161266 | -0.868213 | false | 1.342319 | -1.076685 | ['La', 'Li', 'O'] |
mp-1185263 | LiPaO3 | 3 | false | -1.502319 | -0.383458 | 1.295381 | true | 1.432513 | -1.005395 | ['Li', 'O', 'Pa'] |
mp-1185297 | LiAcO3 | 3 | false | -0.476863 | 0.201685 | -0.868213 | false | 2.68771 | -1.064104 | ['Ac', 'Li', 'O'] |
mp-1185313 | LiAlO3 | 3 | false | -0.143857 | 0.311304 | -0.868213 | false | -0.727501 | -1.090638 | ['Al', 'Li', 'O'] |
mp-1185344 | LiEuO3 | 3 | false | -0.016946 | -0.034886 | -0.868213 | false | 1.798757 | -1.084068 | ['Eu', 'Li', 'O'] |
mp-1185303 | LiGeO3 | 3 | false | 0.336528 | 0.387077 | -0.868213 | false | 0.225306 | -1.088471 | ['Ge', 'Li', 'O'] |
mp-1185420 | LiRuO3 | 3 | false | 0.567703 | 0.178128 | -0.868213 | false | 0.561275 | -1.075144 | ['Li', 'O', 'Ru'] |
mp-1185387 | LiNdO3 | 3 | false | -0.357283 | 0.195678 | -0.868213 | false | 1.609391 | -1.082999 | ['Li', 'Nd', 'O'] |
mp-1185388 | LiPmO3 | 3 | false | -0.356863 | 0.196811 | -0.868213 | false | 1.711793 | -1.086187 | ['Li', 'O', 'Pm'] |
mp-1185401 | LiGdO3 | 3 | false | -0.316785 | -0.333778 | -0.868213 | false | 2.126828 | -1.091314 | ['Gd', 'Li', 'O'] |
mp-1185302 | LiBO3 | 3 | false | 0.808381 | 0.392188 | -0.868213 | false | -0.492479 | -1.133553 | ['B', 'Li', 'O'] |
mp-1185404 | LiPrO3 | 3 | false | -0.355806 | 0.194482 | -0.868213 | false | 1.480597 | -1.080671 | ['Li', 'O', 'Pr'] |
mp-1185417 | LiYbO3 | 3 | false | -0.071587 | -1.777545 | -0.868213 | false | 2.984424 | -1.105016 | ['Li', 'O', 'Yb'] |
mp-1185236 | LiTmO3 | 3 | false | -0.275026 | 0.233948 | -0.868213 | false | 2.636173 | -1.098565 | ['Li', 'O', 'Tm'] |
mp-1185308 | LiDyO3 | 3 | false | -0.312296 | 0.216234 | -0.868213 | false | 2.354209 | -1.094716 | ['Dy', 'Li', 'O'] |
mp-1185311 | LiCrO3 | 3 | false | 0.338005 | 0.095577 | -0.868213 | false | -0.125723 | -1.094213 | ['Cr', 'Li', 'O'] |
mp-1185320 | LiFeO3 | 3 | true | 0.79651 | 0.285149 | -0.868213 | false | -0.227117 | -1.082407 | ['Fe', 'Li', 'O'] |
mp-1185414 | LiSiO3 | 3 | false | -0.462379 | 0.129826 | -0.868213 | false | -0.37586 | -1.113293 | ['Li', 'O', 'Si'] |
mp-1187183 | SrLiO3 | 3 | false | 0.307132 | 0.549386 | -0.868213 | false | 0.13883 | -1.065434 | ['Li', 'O', 'Sr'] |
mp-23818 | BaLiH3 | 3 | false | 1.501159 | 1.121462 | 0.631285 | true | 0.023329 | -1.051561 | ['Ba', 'H', 'Li'] |
mp-24419 | SrLiH3 | 3 | false | 2.032524 | 0.455899 | 0.363764 | true | -1.418494 | -0.951102 | ['H', 'Li', 'Sr'] |
mp-541365 | LiEuH3 | 3 | false | 1.486482 | -1.044561 | -0.868213 | false | 0.991234 | -1.089741 | ['Eu', 'H', 'Li'] |
mp-545712 | LiUO3 | 3 | false | -1.282266 | -0.426808 | -0.585728 | false | 1.64887 | -1.012111 | ['Li', 'O', 'U'] |
mp-632808 | BaLiH3 | 3 | false | 2.183914 | 1.301524 | -0.056577 | false | -1.251653 | -0.862373 | ['Ba', 'H', 'Li'] |
mp-862870 | LiTcO3 | 3 | false | 0.068756 | -0.016493 | -0.868213 | false | 0.456333 | -1.072697 | ['Li', 'O', 'Tc'] |
mp-973136 | LiSmO3 | 3 | false | -0.348385 | 0.200901 | -0.868213 | false | 1.864381 | -1.087557 | ['Li', 'O', 'Sm'] |
mp-973613 | LiCeO3 | 3 | false | -0.628526 | 0.056319 | -0.868213 | false | 1.822812 | -1.093698 | ['Ce', 'Li', 'O'] |
mp-973818 | LiHoO3 | 3 | false | -0.297661 | 0.221294 | -0.868213 | false | 2.455539 | -1.096073 | ['Ho', 'Li', 'O'] |
mp-975291 | RbLiO3 | 3 | false | 1.405394 | 0.88034 | -0.868213 | false | -0.374567 | -1.027127 | ['Li', 'O', 'Rb'] |
mp-975990 | NaLiO3 | 3 | false | 1.363084 | 0.848222 | -0.868213 | false | -0.979084 | -1.074752 | ['Li', 'Na', 'O'] |
mp-975333 | LiCaO3 | 3 | false | 0.356893 | 0.544336 | -0.868213 | false | -0.5562 | -1.082063 | ['Ca', 'Li', 'O'] |
mp-976331 | LiLuO3 | 3 | false | -0.240277 | 0.240838 | -0.868213 | false | 2.826191 | -1.099909 | ['Li', 'Lu', 'O'] |
mp-976283 | LiYO3 | 3 | false | -0.28065 | 0.114862 | -0.868213 | false | 0.676035 | -1.093269 | ['Li', 'O', 'Y'] |
mp-982975 | LiBeO3 | 3 | false | 0.6902 | 0.531626 | -0.868213 | false | -0.863949 | -1.113444 | ['Be', 'Li', 'O'] |
mp-1211055 | LiPt3O4 | 3 | false | 0.977262 | 0.348861 | -0.868213 | false | 5.426386 | -0.707595 | ['Li', 'O', 'Pt'] |
mp-10181 | LiSiNi2 | 3 | true | 1.63585 | 0.599625 | -0.868213 | false | 1.592657 | -1.118944 | ['Li', 'Ni', 'Si'] |
mp-1067042 | LiMg2Si | 3 | false | 2.155162 | 1.338591 | -0.868213 | false | -1.230493 | -1.028304 | ['Li', 'Mg', 'Si'] |
mp-11512 | LiAl2Ir | 3 | false | 1.275748 | -3.072555 | -0.868213 | false | 2.707512 | -1.082487 | ['Al', 'Ir', 'Li'] |
mp-1185243 | LiYb2Al | 3 | false | 1.899916 | -3.921089 | -0.868213 | false | 2.143361 | -0.976122 | ['Al', 'Li', 'Yb'] |
mp-1185294 | LiAc2Pb | 3 | false | 1.879333 | 1.028742 | -0.868213 | false | 2.857471 | -0.838743 | ['Ac', 'Li', 'Pb'] |
mp-1185305 | LiGePt2 | 3 | false | 1.583223 | 0.601726 | -0.868213 | false | 6.957726 | -1.078963 | ['Ge', 'Li', 'Pt'] |
mp-1185241 | LiY2Tl | 3 | false | 1.840241 | -4.953479 | -0.868213 | false | 1.647322 | -0.937801 | ['Li', 'Tl', 'Y'] |
mp-1185267 | LiNpRu2 | 3 | false | 2.278612 | -7.744188 | -0.868213 | false | 5.341964 | -1.055874 | ['Li', 'Np', 'Ru'] |
mp-1185318 | LiGe2Ir | 3 | false | 1.822297 | 0.569086 | -0.868213 | false | 4.260169 | -1.074914 | ['Ge', 'Ir', 'Li'] |
mp-1185321 | LiAl2Au | 3 | false | 1.726957 | -2.824849 | -0.868213 | false | 2.317004 | -1.066734 | ['Al', 'Au', 'Li'] |
mp-1185242 | LiTm2Ga | 3 | false | 1.762409 | -4.09474 | -0.868213 | false | 2.615271 | -0.978635 | ['Ga', 'Li', 'Tm'] |
mp-1185251 | LiY2Hg | 3 | false | 1.849407 | -4.674587 | -0.868213 | false | 1.744968 | -0.947556 | ['Hg', 'Li', 'Y'] |
mp-1185254 | LiYb2In | 3 | false | 1.806533 | -5.095172 | -0.868213 | false | 2.846842 | -0.957926 | ['In', 'Li', 'Yb'] |
mp-1185260 | LiNi2Sb | 3 | true | 1.862277 | -1.746124 | -0.868213 | false | 2.724182 | -1.087294 | ['Li', 'Ni', 'Sb'] |
mp-1185270 | LiNpRh2 | 3 | false | 1.562949 | -7.746029 | -0.868213 | false | 5.116284 | -1.048935 | ['Li', 'Np', 'Rh'] |
mp-1185207 | LiCdHg2 | 3 | false | 1.936544 | -6.743977 | -0.868213 | false | 4.505603 | -1.000092 | ['Cd', 'Hg', 'Li'] |
mp-1185292 | LiAc2Sn | 3 | false | 1.787091 | 0.982878 | -0.868213 | false | 2.290951 | -0.850746 | ['Ac', 'Li', 'Sn'] |
mp-1185307 | LiAl2Cu | 3 | false | 1.96643 | 1.078162 | -0.868213 | false | 0.07924 | -1.083903 | ['Al', 'Cu', 'Li'] |
mp-1185212 | LiCd2Ni | 3 | true | 2.050381 | -1.879449 | -0.868213 | false | 2.653626 | -1.057663 | ['Cd', 'Li', 'Ni'] |
mp-1185238 | LiTiPd2 | 3 | false | 1.596193 | -2.482833 | -0.868213 | false | 2.652942 | -1.071814 | ['Li', 'Pd', 'Ti'] |
mp-1185248 | LiYPd2 | 3 | false | 1.425541 | -3.06286 | -0.868213 | false | 2.102058 | -1.02339 | ['Li', 'Pd', 'Y'] |
mp-1185285 | LiAcHg2 | 3 | false | 1.658393 | -10.337729 | -0.868213 | false | 3.952339 | -0.922815 | ['Ac', 'Hg', 'Li'] |
mp-1185306 | LiCrRh2 | 3 | false | 2.004662 | -2.700591 | -0.868213 | false | 3.242177 | -1.090473 | ['Cr', 'Li', 'Rh'] |
mp-1185314 | LiCd2Cu | 3 | false | 2.014347 | -1.806629 | -0.868213 | false | 2.524474 | -1.049939 | ['Cd', 'Cu', 'Li'] |
mp-1185234 | LiCe2Al | 3 | false | 2.083206 | -3.047462 | -0.868213 | false | 1.043137 | -0.954433 | ['Al', 'Ce', 'Li'] |
mp-1185304 | LiAlZn2 | 3 | false | 2.014616 | 0.115921 | -0.868213 | false | 0.626409 | -1.069597 | ['Al', 'Li', 'Zn'] |
mp-1185317 | LiBe2Pt | 3 | false | 1.611195 | 0.842333 | -0.868213 | false | 3.250344 | -1.11558 | ['Be', 'Li', 'Pt'] |
mp-1185239 | LiTl2Pd | 3 | false | 1.885214 | -7.517589 | -0.868213 | false | 4.946203 | -1.013474 | ['Li', 'Pd', 'Tl'] |
mp-1185262 | LiPd2Au | 3 | false | 1.858998 | -5.144335 | -0.868077 | false | 4.80306 | -1.055309 | ['Au', 'Li', 'Pd'] |
mp-1185218 | LiCe2Pb | 3 | false | 2.055254 | 0.811716 | -0.868213 | false | 2.32241 | -0.909892 | ['Ce', 'Li', 'Pb'] |
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