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-757690 | LiNb(PO3)4 | 4 | false | -0.653676 | -0.133502 | -0.745794 | false | -0.842547 | 0.362399 | ['Li', 'Nb', 'O', 'P'] |
mp-757790 | LiP2WO8 | 4 | false | -0.590319 | -0.195373 | 0.845789 | true | 0.254328 | -0.796168 | ['Li', 'O', 'P', 'W'] |
mp-759120 | LiMn2OF3 | 4 | true | -0.756546 | 0.057506 | 0.218933 | true | -0.128435 | -0.726589 | ['F', 'Li', 'Mn', 'O'] |
mp-758532 | LiCo2CuO6 | 4 | true | 0.855234 | 0.314648 | -0.868213 | false | 0.563513 | -0.941265 | ['Co', 'Cu', 'Li', 'O'] |
mp-763429 | LiFe(CoO3)2 | 4 | true | 0.617431 | 0.125114 | -0.62676 | false | 0.405079 | -0.933602 | ['Co', 'Fe', 'Li', 'O'] |
mp-761105 | LiCo2OF3 | 4 | true | -0.246899 | 0.360084 | 0.437906 | true | 0.241177 | -0.776697 | ['Co', 'F', 'Li', 'O'] |
mp-761730 | LiCo3CuO8 | 4 | true | 0.953672 | 0.295066 | -0.868213 | false | 0.504028 | -0.838589 | ['Co', 'Cu', 'Li', 'O'] |
mp-767644 | LiV(PO4)2 | 4 | false | -0.581009 | -0.099243 | -0.426137 | false | -0.518055 | -0.838843 | ['Li', 'O', 'P', 'V'] |
mp-763878 | LiMn2O2F3 | 4 | true | -0.597229 | 0.080283 | -0.868213 | false | -0.211166 | -0.6635 | ['F', 'Li', 'Mn', 'O'] |
mp-766561 | LiNd14(Cu3O14)2 | 4 | false | -1.140497 | -0.134609 | -0.868213 | false | 2.144577 | 0.730382 | ['Cu', 'Li', 'Nd', 'O'] |
mp-772969 | Na2Li(NiO2)3 | 4 | true | 0.678206 | 0.469485 | -0.226732 | false | 0.569138 | -0.560742 | ['Li', 'Na', 'Ni', 'O'] |
mp-7744 | LiSO3F | 4 | false | -0.27496 | 0.363436 | 3.053259 | true | -1.169634 | -0.730393 | ['F', 'Li', 'O', 'S'] |
mp-774921 | KLiNiO2 | 4 | true | 0.569914 | 0.602956 | 0.503585 | true | -0.232327 | -0.467511 | ['K', 'Li', 'Ni', 'O'] |
mp-775959 | LiLa7(CuO7)2 | 4 | false | -1.271477 | -0.173935 | -0.848645 | false | 2.04259 | 2.512448 | ['Cu', 'La', 'Li', 'O'] |
mp-780611 | LiV2CrO6 | 4 | false | -0.424433 | -0.297166 | -0.108714 | false | -0.01535 | -0.247013 | ['Cr', 'Li', 'O', 'V'] |
mp-778584 | LiMn2(CoO4)2 | 4 | true | 0.411207 | -0.006271 | -0.691762 | false | 0.520415 | -0.854096 | ['Co', 'Li', 'Mn', 'O'] |
mp-850915 | LiFe2O2F3 | 4 | true | -0.380829 | 0.187549 | 0.24947 | true | -0.175347 | -0.667333 | ['F', 'Fe', 'Li', 'O'] |
mp-866741 | LiNd9Mo16O35 | 4 | false | -0.324666 | -0.409195 | -0.253342 | false | 2.355685 | 1.004059 | ['Li', 'Mo', 'Nd', 'O'] |
mp-560465 | K11LiMn4O16 | 4 | true | 0.155897 | 0.399608 | 0.314133 | true | -0.714245 | 0.393289 | ['K', 'Li', 'Mn', 'O'] |
mp-758070 | LiCu2PO4 | 4 | false | 0.155647 | 0.298995 | -0.572728 | false | 0.381276 | -0.983975 | ['Cu', 'Li', 'O', 'P'] |
mp-1198930 | LiGa(SeO3)2 | 4 | false | 0.279341 | 0.404929 | 2.013374 | true | 0.033381 | 0.430333 | ['Ga', 'Li', 'O', 'Se'] |
mp-26511 | LiNi4(PO4)3 | 4 | true | -0.218819 | 0.020857 | 1.63393 | true | 0.400459 | -0.076835 | ['Li', 'Ni', 'O', 'P'] |
mp-585189 | LiMn4(PO4)3 | 4 | true | -0.611031 | -0.278829 | 1.199234 | true | -0.023111 | 0.082263 | ['Li', 'Mn', 'O', 'P'] |
mp-558555 | LiFe(SeO3)2 | 4 | true | 0.417225 | 0.283397 | 0.932593 | true | -0.156831 | 0.489543 | ['Fe', 'Li', 'O', 'Se'] |
mp-5990 | CsLi(B3O5)2 | 4 | false | -0.953657 | -0.201739 | 2.653705 | true | -0.955663 | 0.268183 | ['B', 'Cs', 'Li', 'O'] |
mp-559155 | LiMg4V3O12 | 4 | false | -0.818429 | -0.056132 | 1.367966 | true | -0.361422 | 0.103157 | ['Li', 'Mg', 'O', 'V'] |
mp-775232 | LiCr4(PO4)3 | 4 | false | -0.481481 | -0.273157 | -0.868213 | false | -0.048481 | 0.065192 | ['Cr', 'Li', 'O', 'P'] |
mp-758740 | LiFe4(PO4)3 | 4 | true | -0.367325 | -0.174401 | 1.255094 | true | 0.114973 | 0.021651 | ['Fe', 'Li', 'O', 'P'] |
mp-757720 | LiV(CO3)2 | 4 | false | -0.149906 | -0.216653 | 0.425245 | true | -0.956098 | 0.231811 | ['C', 'Li', 'O', 'V'] |
mp-758417 | LiV4(PO4)3 | 4 | false | -0.626912 | -0.278485 | 0.566961 | true | -0.046044 | 0.052914 | ['Li', 'O', 'P', 'V'] |
mp-1002069 | NaLiICl | 4 | false | 0.301579 | 1.137863 | 2.234853 | true | -0.458189 | -0.93737 | ['Cl', 'I', 'Li', 'Na'] |
mp-1021327 | KLiICl | 4 | false | 0.251399 | 1.139888 | 2.131595 | true | -0.696676 | -0.86928 | ['Cl', 'I', 'K', 'Li'] |
mp-1002080 | CsLiICl | 4 | false | 0.34803 | 1.181576 | 1.627091 | true | -0.45087 | -0.76712 | ['Cl', 'Cs', 'I', 'Li'] |
mp-1031070 | LiMg6SbO8 | 4 | false | -0.739876 | 0.338912 | 1.844236 | true | 0.160741 | -0.754477 | ['Li', 'Mg', 'O', 'Sb'] |
mp-1030908 | LiCeMg6O8 | 4 | false | -0.985883 | 0.241247 | -0.614708 | false | 0.139653 | -0.728395 | ['Ce', 'Li', 'Mg', 'O'] |
mp-1031034 | LiMg6CrO8 | 4 | false | -0.949335 | 0.183497 | 1.333231 | true | -0.070478 | -0.800394 | ['Cr', 'Li', 'Mg', 'O'] |
mp-1030989 | LiLaMg6O8 | 4 | false | -0.975371 | 0.262171 | 2.435002 | true | 0.091209 | -0.720391 | ['La', 'Li', 'Mg', 'O'] |
mp-1030894 | LiLaMg6O8 | 4 | false | -1.038441 | 0.245537 | 2.93409 | true | 0.107301 | -0.723576 | ['La', 'Li', 'Mg', 'O'] |
mp-1030903 | LiMg6SiO8 | 4 | false | -0.858566 | 0.284102 | -0.363302 | false | -0.248499 | -0.799853 | ['Li', 'Mg', 'O', 'Si'] |
mp-1031027 | LiMg6CrO8 | 4 | false | -0.940864 | 0.185731 | 0.832721 | true | -0.091109 | -0.796659 | ['Cr', 'Li', 'Mg', 'O'] |
mp-1031076 | LiMg6BiO8 | 4 | false | -0.706157 | 0.352138 | 2.274734 | true | 0.621302 | -0.736253 | ['Bi', 'Li', 'Mg', 'O'] |
mp-1030909 | LiMg6SiO8 | 4 | false | -0.858906 | 0.284013 | -0.323692 | false | -0.278654 | -0.793927 | ['Li', 'Mg', 'O', 'Si'] |
mp-1030934 | LiCeMg6O8 | 4 | false | -1.046165 | 0.225349 | -0.554176 | false | 0.171138 | -0.734383 | ['Ce', 'Li', 'Mg', 'O'] |
mp-1031055 | LiMg6WO8 | 4 | false | -0.770421 | 0.170747 | 2.303646 | true | 0.690207 | -0.772272 | ['Li', 'Mg', 'O', 'W'] |
mp-1031151 | LiMg6BO8 | 4 | false | -0.811488 | 0.273776 | 3.03992 | true | -0.322801 | -0.810305 | ['B', 'Li', 'Mg', 'O'] |
mp-1031101 | LiMg6BiO8 | 4 | false | -0.657159 | 0.36506 | 2.265051 | true | 0.595398 | -0.732065 | ['Bi', 'Li', 'Mg', 'O'] |
mp-1031131 | LiMg6SbO8 | 4 | false | -0.696226 | 0.350424 | 2.021364 | true | 0.225777 | -0.765979 | ['Li', 'Mg', 'O', 'Sb'] |
mp-1031142 | LiMg6GaO8 | 4 | false | -0.93557 | 0.307266 | 2.133898 | true | 0.037574 | -0.796636 | ['Ga', 'Li', 'Mg', 'O'] |
mp-1031129 | LiMg6CO8 | 4 | false | -0.300566 | 0.362292 | -0.589181 | false | -0.295451 | -0.813852 | ['C', 'Li', 'Mg', 'O'] |
mp-1031146 | LiMg6CO8 | 4 | false | -0.335524 | 0.353072 | -0.223278 | false | -0.307146 | -0.811599 | ['C', 'Li', 'Mg', 'O'] |
mp-1031344 | LiMg6TiO8 | 4 | false | -1.107107 | 0.17376 | -0.814045 | false | -0.111413 | -0.798445 | ['Li', 'Mg', 'O', 'Ti'] |
mp-1031191 | LiMg6WO8 | 4 | false | -0.79915 | 0.16317 | 2.22341 | true | 0.728007 | -0.777712 | ['Li', 'Mg', 'O', 'W'] |
mp-1031114 | LiMg6GaO8 | 4 | false | -0.93123 | 0.30841 | 2.318813 | true | 0.068468 | -0.801928 | ['Ga', 'Li', 'Mg', 'O'] |
mp-1031148 | LiMg6BO8 | 4 | false | -0.705989 | 0.301599 | 2.06937 | true | -0.301879 | -0.81436 | ['B', 'Li', 'Mg', 'O'] |
mp-1031524 | LiMg6AlO8 | 4 | false | -1.110817 | 0.248037 | 3.423022 | true | -0.200814 | -0.810442 | ['Al', 'Li', 'Mg', 'O'] |
mp-1031369 | LiMg6TiO8 | 4 | false | -1.085629 | 0.179425 | -0.533253 | false | -0.145254 | -0.79215 | ['Li', 'Mg', 'O', 'Ti'] |
mp-1031514 | LiMg6AlO8 | 4 | false | -1.120582 | 0.245462 | 3.072421 | true | -0.227938 | -0.805356 | ['Al', 'Li', 'Mg', 'O'] |
mp-1032218 | LiMg6CoO8 | 4 | true | -0.739388 | 0.284558 | 0.02657 | true | 0.00017 | -0.80385 | ['Co', 'Li', 'Mg', 'O'] |
mp-1032171 | LiMg6CoO8 | 4 | true | -0.716096 | 0.2907 | -0.26106 | false | -0.014483 | -0.801299 | ['Co', 'Li', 'Mg', 'O'] |
mp-1032414 | LiMg6MnO8 | 4 | true | -0.897567 | 0.206054 | -0.405688 | false | -0.062428 | -0.797977 | ['Li', 'Mg', 'Mn', 'O'] |
mp-1032467 | LiMg6FeO8 | 4 | true | -0.841989 | 0.233261 | 1.012626 | true | -0.051967 | -0.798666 | ['Fe', 'Li', 'Mg', 'O'] |
mp-1032403 | LiMg6MnO8 | 4 | true | -0.90238 | 0.204785 | 0.168828 | true | -0.091255 | -0.792729 | ['Li', 'Mg', 'Mn', 'O'] |
mp-1032500 | LiMg6FeO8 | 4 | true | -0.832356 | 0.235801 | 0.44488 | true | -0.075248 | -0.794463 | ['Fe', 'Li', 'Mg', 'O'] |
mp-1032837 | LiYMg6O8 | 4 | false | -1.116592 | 0.1964 | 2.733128 | true | -0.069353 | -0.752062 | ['Li', 'Mg', 'O', 'Y'] |
mp-1033703 | LiYMg6O8 | 4 | false | -1.160775 | 0.184748 | 3.359375 | true | -0.042006 | -0.757451 | ['Li', 'Mg', 'O', 'Y'] |
mp-1034187 | LiMg14TiO16 | 4 | false | -1.127086 | 0.227822 | -0.809847 | false | -0.171458 | -0.344658 | ['Li', 'Mg', 'O', 'Ti'] |
mp-1035113 | LiMg14GaO16 | 4 | false | -1.04983 | 0.29233 | 2.339735 | true | -0.073267 | -0.35189 | ['Ga', 'Li', 'Mg', 'O'] |
mp-1035090 | LiMg14BO16 | 4 | false | -0.945457 | 0.286749 | 2.69758 | true | -0.234661 | -0.372096 | ['B', 'Li', 'Mg', 'O'] |
mp-1035135 | LiMg14CO16 | 4 | false | -0.729013 | 0.320717 | -0.484435 | false | -0.252912 | -0.363384 | ['C', 'Li', 'Mg', 'O'] |
mp-1035140 | LiMg14SbO16 | 4 | false | -0.932478 | 0.313296 | 1.773885 | true | -0.024961 | -0.301923 | ['Li', 'Mg', 'O', 'Sb'] |
mp-1035174 | LiMg14BiO16 | 4 | false | -0.916597 | 0.319651 | 2.193211 | true | 0.230088 | -0.286945 | ['Bi', 'Li', 'Mg', 'O'] |
mp-1034976 | LiMg14CoO16 | 4 | true | -0.948291 | 0.281885 | -0.183668 | false | -0.107951 | -0.353504 | ['Co', 'Li', 'Mg', 'O'] |
mp-1035434 | LiMg14CrO16 | 4 | false | -1.05789 | 0.230135 | 1.159759 | true | -0.141728 | -0.350283 | ['Cr', 'Li', 'Mg', 'O'] |
mp-1035445 | LiMg14FeO16 | 4 | true | -1.001898 | 0.255628 | 0.758985 | true | -0.135281 | -0.347493 | ['Fe', 'Li', 'Mg', 'O'] |
mp-1035324 | LiMg14WO16 | 4 | false | -0.975146 | 0.221989 | 2.260176 | true | 0.26205 | -0.32702 | ['Li', 'Mg', 'O', 'W'] |
mp-1035527 | LiMg14SiO16 | 4 | false | -1.004807 | 0.282467 | -0.423631 | false | -0.235033 | -0.347585 | ['Li', 'Mg', 'O', 'Si'] |
mp-1035532 | LiLaMg14O16 | 4 | false | -1.081148 | 0.266771 | 2.712951 | true | -0.026668 | -0.279121 | ['La', 'Li', 'Mg', 'O'] |
mp-1035550 | LiCeMg14O16 | 4 | false | -1.083008 | 0.257205 | -0.508336 | false | -0.005655 | -0.28562 | ['Ce', 'Li', 'Mg', 'O'] |
mp-1035901 | LiYMg14O16 | 4 | false | -1.148639 | 0.234708 | 1.732853 | true | -0.122445 | -0.307843 | ['Li', 'Mg', 'O', 'Y'] |
mp-1036089 | LiMg14MnO16 | 4 | true | -1.026176 | 0.242951 | -0.566499 | false | -0.146148 | -0.344628 | ['Li', 'Mg', 'Mn', 'O'] |
mp-1036528 | LiMg14AlO16 | 4 | false | -1.144162 | 0.260946 | 1.895627 | true | -0.208636 | -0.359343 | ['Al', 'Li', 'Mg', 'O'] |
mp-1037086 | LiMg30CoO32 | 4 | true | -1.072005 | 0.275468 | 0.608331 | true | -0.147034 | 0.536969 | ['Co', 'Li', 'Mg', 'O'] |
mp-1037085 | LiMg30CoO32 | 4 | true | -1.065934 | 0.277069 | 0.400124 | true | -0.151176 | 0.540087 | ['Co', 'Li', 'Mg', 'O'] |
mp-1037593 | LiMg30FeO32 | 4 | true | -1.088213 | 0.265134 | 1.200317 | true | -0.150095 | 0.535072 | ['Fe', 'Li', 'Mg', 'O'] |
mp-1037656 | LiYMg30O32 | 4 | false | -1.162269 | 0.254493 | 2.073297 | true | -0.147893 | 0.578337 | ['Li', 'Mg', 'O', 'Y'] |
mp-1037661 | LiYMg30O32 | 4 | false | -1.163114 | 0.254271 | 2.050953 | true | -0.15183 | 0.58137 | ['Li', 'Mg', 'O', 'Y'] |
mp-1037677 | LiMg30FeO32 | 4 | true | -1.093413 | 0.263763 | 1.047022 | true | -0.158986 | 0.541781 | ['Fe', 'Li', 'Mg', 'O'] |
mp-1038037 | LiMg30MnO32 | 4 | true | -1.101577 | 0.258472 | 0.103556 | true | -0.169702 | 0.54869 | ['Li', 'Mg', 'Mn', 'O'] |
mp-1038038 | LiMg30MnO32 | 4 | true | -1.106311 | 0.257224 | 0.167948 | true | -0.163493 | 0.54396 | ['Li', 'Mg', 'Mn', 'O'] |
mp-1038204 | LiMg30AlO32 | 4 | false | -1.166094 | 0.266013 | 2.162268 | true | -0.19779 | 0.531601 | ['Al', 'Li', 'Mg', 'O'] |
mp-1038227 | LiMg30AlO32 | 4 | false | -1.16201 | 0.26709 | 2.132137 | true | -0.195538 | 0.529879 | ['Al', 'Li', 'Mg', 'O'] |
mp-1040064 | LiMg30CO32 | 4 | false | -0.956039 | 0.296553 | -0.556071 | false | -0.217301 | 0.525712 | ['C', 'Li', 'Mg', 'O'] |
mp-1040009 | LiMg30BiO32 | 4 | false | -1.048779 | 0.296298 | 1.516656 | true | 0.040435 | 0.595246 | ['Bi', 'Li', 'Mg', 'O'] |
mp-1040051 | LiMg30GaO32 | 4 | false | -1.117791 | 0.282005 | 2.002541 | true | -0.13193 | 0.540251 | ['Ga', 'Li', 'Mg', 'O'] |
mp-1040082 | LiMg30WO32 | 4 | false | -1.078807 | 0.247267 | 1.230922 | true | 0.043462 | 0.561476 | ['Li', 'Mg', 'O', 'W'] |
mp-1040035 | LiMg30SbO32 | 4 | false | -1.054571 | 0.293687 | 1.084059 | true | -0.097573 | 0.584139 | ['Li', 'Mg', 'O', 'Sb'] |
mp-1040007 | LiMg30CO32 | 4 | false | -0.948418 | 0.298563 | -0.667183 | false | -0.219617 | 0.527496 | ['C', 'Li', 'Mg', 'O'] |
mp-1040012 | LiMg30SbO32 | 4 | false | -1.055283 | 0.293499 | 0.930562 | true | -0.005267 | 0.516959 | ['Li', 'Mg', 'O', 'Sb'] |
mp-1040052 | LiMg30GaO32 | 4 | false | -1.114099 | 0.282978 | 1.937675 | true | -0.127054 | 0.53661 | ['Ga', 'Li', 'Mg', 'O'] |
mp-1040014 | LiMg30BiO32 | 4 | false | -1.048885 | 0.29627 | 1.354153 | true | 0.038625 | 0.596549 | ['Bi', 'Li', 'Mg', 'O'] |
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