ID int64 | composition string | source string | temperature float64 | target float64 | family string | ChemicalFamily string | structure int64 | pretty_formula string | classification_target int64 | loco int64 | formula string | log_target float64 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
752 | Li6.08P0.92Si0.08S5Br | 10.1039/c7ta08581h | 25 | -3.063486 | Argyrodite | SulphidesandOtherAnions | 1 | Li0.465Si0.006P0.07S0.382Br0.076 | 1 | 3 | Li0.465Si0.006P0.07S0.382Br0.076 | -3.063486 |
753 | Li6.02P0.98Si0.02S5Br | 10.1039/c7ta08581h | 25 | -3.058489 | Argyrodite | SulphidesandOtherAnions | 1 | Li0.462Si0.002P0.075S0.384Br0.077 | 1 | 3 | Li0.462Si0.002P0.075S0.384Br0.077 | -3.058489 |
754 | Li6.10P0.90Si0.10S5Br | 10.1039/c7ta08581h | 25 | -3.094204 | Argyrodite | SulphidesandOtherAnions | 1 | Li0.466Si0.008P0.069S0.382Br0.076 | 1 | 3 | Li0.466Si0.008P0.069S0.382Br0.076 | -3.094204 |
756 | Li6.05P0.95Si0.05S5Br | 10.1039/c7ta08581h | 25 | -3.355561 | Argyrodite | SulphidesandOtherAnions | 1 | Li0.464Si0.004P0.073S0.383Br0.077 | 1 | 3 | Li0.464Si0.004P0.073S0.383Br0.077 | -3.355561 |
762 | Li3.6Si0.6P0.4S4 | 10.1006/jssc.2002.9701 | 25 | -4.110026 | Thio-LISICON | Sulphides | 13 | Li0.419Si0.07P0.047S0.465 | 0 | 3 | Li0.419Si0.07P0.047S0.465 | -4.110026 |
764 | Li4SiS4 | 10.1016/0025-5408(89)90053-6 | 25 | -7.307153 | Thio-LISICON | Sulphides | 13 | Li0.444Si0.111S0.444 | 0 | 3 | Li0.444Si0.111S0.444 | -7.307153 |
765 | Li2SiS3 | 10.1016/0025-5408(89)90053-6 | 25 | -5.69897 | Thio-LISICON | Sulphides | 13 | Li0.333Si0.167S0.5 | 0 | 3 | Li0.333Si0.167S0.5 | -5.69897 |
769 | Li6.75La3Zr1.75Nb0.25O12 | 10.1016/j.jpowsour.2010.11.089 | 25 | -3.09691 | Garnet | Oxides | 2 | Li0.284La0.126Zr0.074Nb0.011O0.505 | 1 | 4 | Li0.284La0.126Zr0.074Nb0.011O0.505 | -3.09691 |
770 | Li7La3Zr1.89Al0.15O12 | 10.1016/j.jpowsour.2013.03.049 | 25 | -3.468521 | Garnet | Oxides | 2 | Li0.291La0.125Zr0.079Al0.006O0.499 | 1 | 3 | Li0.291La0.125Zr0.079Al0.006O0.499 | -3.468521 |
771 | Li6.75La3Zr1.875Te0.125O12 | 10.1016/j.jpowsour.2013.03.166 | 30 | -4.424235 | Garnet | Oxides | 2 | Li0.284La0.126Zr0.079Te0.005O0.505 | 0 | 3 | Li0.284La0.126Zr0.079Te0.005O0.505 | -4.424235 |
772 | Li10Ge0.95Si0.05P2S12 | 10.1016/j.jpowsour.2014.07.159 | 25 | -2.065502 | Thio-LISICON | Sulphides | 13 | Li0.4Ge0.038Si0.002P0.08S0.48 | 1 | 5 | Li0.4Ge0.038Si0.002P0.08S0.48 | -2.065502 |
773 | Li5.5La3Nb1.75In0.25O12 | 10.1016/j.jssc.2005.12.025 | 25 | -4.619789 | Garnet | Oxides | 2 | Li0.244La0.133Nb0.078In0.011O0.533 | 0 | 4 | Li0.244La0.133Nb0.078In0.011O0.533 | -4.619789 |
774 | Li5.5La2.75K0.25Nb2O12 | 10.1016/j.jssc.2005.12.025 | 25 | -4.974694 | Garnet | Oxides | 2 | K0.011Li0.244La0.122Nb0.089O0.533 | 0 | 4 | K0.011Li0.244La0.122Nb0.089O0.533 | -4.974694 |
776 | Li7La3Hf2O12 | 10.1016/j.jssc.2009.10.030 | 27 | -6.011887 | Garnet | Oxides | 2 | Li0.292La0.125Hf0.083O0.5 | 0 | 3 | Li0.292La0.125Hf0.083O0.5 | -6.011887 |
777 | Li6.25La3Zr2Ga0.25O12 | 10.1016/j.matchemphys.2012.03.054 | 25 | -3.455932 | Garnet | Oxides | 2 | Li0.266La0.128Zr0.085Ga0.011O0.511 | 1 | 5 | Li0.266La0.128Zr0.085Ga0.011O0.511 | -3.455932 |
779 | Li2.2Zn0.1Zr0.9S3 | 10.1016/j.ssi.2008.01.055 | 30 | -3.920819 | Thio-LISICON | Sulphides | 13 | Li0.355Zr0.145Zn0.016S0.484 | 1 | 5 | Li0.355Zr0.145Zn0.016S0.484 | -3.920819 |
781 | Li4GeS4 | 10.1016/S0167-2738(00)00277-0 | 25 | -6.600153 | Thio-LISICON | Sulphides | 13 | Li0.444Ge0.111S0.444 | 0 | 3 | Li0.444Ge0.111S0.444 | -6.600153 |
784 | Li4PS4I | 10.1021/acs.chemmater.7b00013 | 25 | -4.203426 | Argyrodite | SulphidesandOtherAnions | 1 | Li0.4P0.1S0.4I0.1 | 0 | 3 | Li0.4P0.1S0.4I0.1 | -4.203426 |
785 | Li6.6La2.75Y0.25Zr1.6Ta0.4O12 | 10.1021/am503731h | 27 | -3.360514 | Garnet | Oxides | 2 | Li0.28Y0.011La0.117Zr0.068Ta0.017O0.508 | 1 | 4 | Li0.28Y0.011La0.117Zr0.068Ta0.017O0.508 | -3.360514 |
786 | Li6.6La2.875Y0.125Zr1.6Ta0.4O12 | 10.1021/am503731h | 27 | -3.498941 | Garnet | Oxides | 2 | Li0.28Y0.005La0.122Zr0.068Ta0.017O0.508 | 1 | 4 | Li0.28Y0.005La0.122Zr0.068Ta0.017O0.508 | -3.498941 |
787 | Li6.6La2.5Y0.5Zr1.6Ta0.4O12 | 10.1021/am503731h | 27 | -3.645892 | Garnet | Oxides | 2 | Li0.28Y0.021La0.106Zr0.068Ta0.017O0.508 | 1 | 4 | Li0.28Y0.021La0.106Zr0.068Ta0.017O0.508 | -3.645892 |
789 | Li4SnS4 | 10.1021/cm3011315 | 25 | -4.154902 | Thio-LISICON | Sulphides | 13 | Li0.444Sn0.111S0.444 | 0 | 3 | Li0.444Sn0.111S0.444 | -4.154902 |
790 | Li6.4La3Zr2Ga0.2O12 | 10.1021/cm5008069 | 24 | -3.045757 | Garnet | Oxides | 2 | Li0.271La0.127Zr0.085Ga0.008O0.508 | 1 | 5 | Li0.271La0.127Zr0.085Ga0.008O0.508 | -3.045757 |
791 | Li2SnS3 | 10.1021/cm5037524 | 25 | -4.866461 | Rocksalt | Sulphides | 12 | Li0.333Sn0.167S0.5 | 0 | 3 | Li0.333Sn0.167S0.5 | -4.866461 |
794 | Li6.5La3Nb1.25Y0.75O12 | 10.1021/jp304737x | 25 | -3.568636 | Garnet | Oxides | 2 | Li0.277Y0.032La0.128Nb0.053O0.511 | 1 | 4 | Li0.277Y0.032La0.128Nb0.053O0.511 | -3.568636 |
795 | Li6La3Nb1.5Y0.5O12 | 10.1021/jp304737x | 24 | -3.725842 | Garnet | Oxides | 2 | Li0.261Y0.022La0.13Nb0.065O0.522 | 1 | 4 | Li0.261Y0.022La0.13Nb0.065O0.522 | -3.725842 |
801 | Li6.6La3Zr1.6Ta0.4O12 | 10.1039/C2JM31413D | 25 | -3.136677 | Garnet | Oxides | 2 | Li0.28La0.127Zr0.068Ta0.017O0.508 | 1 | 4 | Li0.28La0.127Zr0.068Ta0.017O0.508 | -3.136677 |
802 | Li6.7La3Zr1.7Ta0.3O12 | 10.1016/j.ceramint.2018.09.245 | 30 | -2.987163 | Garnet | Oxides | 2 | Li0.283La0.127Zr0.072Ta0.013O0.506 | 1 | 4 | Li0.283La0.127Zr0.072Ta0.013O0.506 | -2.987163 |
803 | Li6.2La3Zr1.2Ta0.8O12 | 10.1039/C2JM31413D | 25 | -3.49485 | Garnet | Oxides | 2 | Li0.267La0.129Zr0.052Ta0.034O0.517 | 1 | 4 | Li0.267La0.129Zr0.052Ta0.034O0.517 | -3.49485 |
804 | Li6.8La3Zr1.8Ta0.2O12 | 10.1039/C2JM31413D | 25 | -3.552842 | Garnet | Oxides | 2 | Li0.286La0.126Zr0.076Ta0.008O0.504 | 1 | 3 | Li0.286La0.126Zr0.076Ta0.008O0.504 | -3.552842 |
805 | Li6La3ZrTaO12 | 10.1039/C2JM31413D | 25 | -3.79588 | Garnet | Oxides | 2 | Li0.261La0.13Zr0.043Ta0.043O0.522 | 1 | 5 | Li0.261La0.13Zr0.043Ta0.043O0.522 | -3.79588 |
806 | Li6.6La3Zr1.6Sb0.4O12 | 10.1039/C3CP50991E | 30 | -3.113509 | Garnet | Oxides | 2 | Li0.28La0.127Zr0.068Sb0.017O0.508 | 1 | 4 | Li0.28La0.127Zr0.068Sb0.017O0.508 | -3.113509 |
807 | Li6.4La3Zr1.4Sb0.6O12 | 10.1039/C3CP50991E | 30 | -3.180456 | Garnet | Oxides | 2 | Li0.274La0.128Zr0.06Sb0.026O0.513 | 1 | 5 | Li0.274La0.128Zr0.06Sb0.026O0.513 | -3.180456 |
808 | Li6.2La3Zr1.2Sb0.8O12 | 10.1039/C3CP50991E | 25 | -3.346787 | Garnet | Oxides | 2 | Li0.267La0.129Zr0.052Sb0.034O0.517 | 1 | 7 | Li0.267La0.129Zr0.052Sb0.034O0.517 | -3.346787 |
809 | Li6La3ZrSbO12 | 10.1039/C3CP50991E | 30 | -3.585027 | Garnet | Oxides | 2 | Li0.261La0.13Zr0.043Sb0.043O0.522 | 1 | 7 | Li0.261La0.13Zr0.043Sb0.043O0.522 | -3.585027 |
810 | Li6.8La3Zr1.8Sb0.2O12 | 10.1039/C3CP50991E | 30 | -4.229148 | Garnet | Oxides | 2 | Li0.286La0.126Zr0.076Sb0.008O0.504 | 0 | 3 | Li0.286La0.126Zr0.076Sb0.008O0.504 | -4.229148 |
814 | Li6BaLa2Nb2O12 | 10.1111/j.1551-2916.2005.00060.x | 22 | -5.221849 | Garnet | Oxides | 2 | Li0.261Ba0.043La0.087Nb0.087O0.522 | 0 | 7 | Li0.261Ba0.043La0.087Nb0.087O0.522 | -5.221849 |
816 | Li6CaLa2Nb2O12 | 10.1111/j.1551-2916.2005.00060.x | 22 | -5.675718 | Garnet | Oxides | 2 | Li0.261Ca0.043La0.087Nb0.087O0.522 | 0 | 7 | Li0.261Ca0.043La0.087Nb0.087O0.522 | -5.79588 |
821 | Li10SiP2S12 | 10.1149/2.0501412jes | 27 | -2.638272 | Thio-LISICON | Sulphides | 13 | Li0.4Si0.04P0.08S0.48 | 1 | 3 | Li0.4Si0.04P0.08S0.48 | -2.638272 |
836 | Li5.4La3Nb1.8Y0.75O12 | 10.1021/jp304737x | 25 | -4.59998 | Garnet | Oxides | 2 | Li0.235Y0.033La0.131Nb0.078O0.523 | 0 | 6 | Li0.235Y0.033La0.131Nb0.078O0.523 | -4.59998 |
847 | "(Li2O)50(Al2O5)5(P2O5)45" | 10.1016/j.jeurceramsoc.2008.12.016 | 25 | -7.939302 | Glass | Oxides | 3 | Li0.2Al0.02P0.18O0.6 | 0 | 7 | Li0.2Al0.02P0.18O0.6 | -7.939302 |
852 | "(Li2O)50(P2O5)50" | 10.1016/j.jeurceramsoc.2008.12.016 | 25 | -8.879426 | Glass | Oxides | 3 | Li0.2P0.2O0.6 | 0 | 7 | Li0.2P0.2O0.6 | -8.879426 |
853 | "(Li2S)9(LaOI)" | 10.1016/j.ssi.2008.01.072 | 30 | -8.089909 | Glass | SulphidesandOtherAnions | 3 | Li0.6La0.033S0.3O0.033I0.033 | 0 | 2 | Li0.6La0.033S0.3O0.033I0.033 | -8.089909 |
855 | "(AgI)0.5(LiPO3)0.5" | 10.1016/j.ssi.2008.04.015 | 30 | -7.387216 | Glass | OxidesandOtherAnions | 3 | Li0.143Ag0.143P0.143O0.429I0.143 | 0 | 0 | Li0.143Ag0.143P0.143O0.429I0.143 | -7.387216 |
857 | "(Li2S)2(LaOI)5" | 10.1016/j.ssi.2008.01.072 | 30 | -7.159894 | Glass | SulphidesandOtherAnions | 3 | Li0.19La0.238S0.095O0.238I0.238 | 0 | 7 | Li0.19La0.238S0.095O0.238I0.238 | -7.159894 |
858 | "(Li2S)(LaOI)" | 10.1016/j.ssi.2008.01.072 | 30 | -6.560667 | Glass | SulphidesandOtherAnions | 3 | Li0.333La0.167S0.167O0.167I0.167 | 0 | 3 | Li0.333La0.167S0.167O0.167I0.167 | -6.560667 |
859 | Li3.9Zn0.05GeS4 | 10.1016/S0167-2738(00)00277-0 | 25 | -6.546682 | Thio-LISICON | Sulphides | 13 | Li0.436Zn0.006Ge0.112S0.447 | 0 | 3 | Li0.436Zn0.006Ge0.112S0.447 | -6.546682 |
861 | Li1.6Ti1.7Mg0.3P3O12 | 10.1016/0167-2738(86)90176-1 | 25 | -5.552842 | NASICON | Oxides | 7 | Li0.086Ti0.091Mg0.016P0.161O0.645 | 0 | 8 | Li0.086Ti0.091Mg0.016P0.161O0.645 | -5.552842 |
862 | "(Li2S)7(LaOI)3" | 10.1016/j.ssi.2008.01.072 | 30 | -5.540608 | Glass-Ceramic | SulphidesandOtherAnions | 4 | Li0.467La0.1S0.233O0.1I0.1 | 0 | 3 | Li0.467La0.1S0.233O0.1I0.1 | -5.540608 |
864 | "(Li0.5La0.5TiO3)94(SiO2)6" | 10.1016/j.ssi.2008.08.013 | 15 | -5.200659 | Glass-Ceramic | Oxides | 4 | Li0.096La0.096Ti0.193Si0.012O0.602 | 0 | 8 | Li0.096La0.096Ti0.193Si0.012O0.602 | -5.200659 |
865 | "(Li0.5La0.5TiO3)97(SiO2)3" | 10.1016/j.ssi.2008.08.013 | 15 | -5 | Glass-Ceramic | Oxides | 4 | Li0.098La0.098Ti0.196Si0.006O0.601 | 0 | 0 | Li0.098La0.098Ti0.196Si0.006O0.601 | -5 |
866 | "(Li0.5La0.5TiO3)95(SiO2)5" | 10.1016/j.ssi.2008.08.013 | 15 | -4.90309 | Glass-Ceramic | Oxides | 4 | Li0.097La0.097Ti0.194Si0.01O0.602 | 0 | 6 | Li0.097La0.097Ti0.194Si0.01O0.602 | -4.90309 |
868 | Li4.275Ge0.61Ga0.25S4 | 10.1016/S0167-2738(00)00277-0 | 25 | -4.197911 | Thio-LISICON | Sulphides | 13 | Li0.468Ga0.027Ge0.067S0.438 | 0 | 3 | Li0.468Ga0.027Ge0.067S0.438 | -4.197911 |
870 | Li1.8Cr0.8Ti1.2(PO4)3 | 10.1016/0167-2738(88)90291-3 | 25 | -3.619789 | NASICON | Oxides | 7 | Li0.096Ti0.064Cr0.043P0.16O0.638 | 1 | 8 | Li0.096Ti0.064Cr0.043P0.16O0.638 | -3.619789 |
889 | "((Li2S)0.6(SiS2)0.4)95(Li4SiO4)5" | 10.1149/1.1392498 | 25 | -2.230623 | Glass | SulphidesandOtherAnions | 3 | Li0.406Si0.13S0.403O0.061 | 1 | 3 | Li0.406Si0.13S0.403O0.061 | -2.230623 |
891 | Li6MgLa2Ta2O12 | 10.1149/1.2800764 | 21.1 | -6.716699 | Garnet | Oxides | 2 | Li0.261La0.087Ta0.087Mg0.043O0.522 | 0 | 5 | Li0.261La0.087Ta0.087Mg0.043O0.522 | -6.716699 |
893 | Li4.4Al0.4Ge0.6S4 | 10.1021/acs.chemmater.8b03175 | 30 | -4.363512 | Thio-LISICON | Sulphides | 13 | Li0.468Al0.043Ge0.064S0.426 | 0 | 3 | Li0.468Al0.043Ge0.064S0.426 | -4.363512 |
894 | Li4.4Al0.4Sn0.6S4 | 10.1021/acs.chemmater.8b03175 | 30 | -5.357535 | Thio-LISICON | Sulphides | 13 | Li0.468Al0.043Sn0.064S0.426 | 0 | 3 | Li0.468Al0.043Sn0.064S0.426 | -5.357535 |
895 | Li4.4Ga0.4Ge0.6S4 | 10.1021/acs.chemmater.8b03175 | 30 | -4.787812 | Thio-LISICON | Sulphides | 13 | Li0.468Ga0.043Ge0.064S0.426 | 0 | 3 | Li0.468Ga0.043Ge0.064S0.426 | -4.787812 |
896 | Li4.4Ga0.4Sn0.6S4 | 10.1021/acs.chemmater.8b03175 | 30 | -5.49485 | Thio-LISICON | Sulphides | 13 | Li0.468Ga0.043Sn0.064S0.426 | 0 | 3 | Li0.468Ga0.043Sn0.064S0.426 | -5.49485 |
901 | Li5AlS4 | 10.1016/j.jssc.2017.09.018 | 25 | -7.899974 | Thio-LISICON | Sulphides | 13 | Li0.5Al0.1S0.4 | 0 | 2 | Li0.5Al0.1S0.4 | -7.899974 |
903 | LiMgPO4 | 10.1021/cm504518q | 25 | -11.199971 | Olivine | Oxides | 8 | Li0.143Mg0.143P0.143O0.571 | 0 | 8 | Li0.143Mg0.143P0.143O0.571 | -11.199971 |
904 | Li0.95Mg0.95In0.05PO4 | 10.1021/cm504518q | 25 | -9.950782 | Olivine | Oxides | 8 | Li0.137Mg0.137In0.007P0.144O0.576 | 0 | 0 | Li0.137Mg0.137In0.007P0.144O0.576 | -9.950782 |
905 | Li0.9Mg0.9In0.1PO4 | 10.1021/cm504518q | 25 | -9.300162 | Olivine | Oxides | 8 | Li0.13Mg0.13In0.014P0.145O0.58 | 0 | 0 | Li0.13Mg0.13In0.014P0.145O0.58 | -9.300162 |
906 | Li0.85Mg0.85In0.15PO4 | 10.1021/cm504518q | 25 | -8.899629 | Olivine | Oxides | 8 | Li0.124Mg0.124In0.022P0.146O0.584 | 0 | 0 | Li0.124Mg0.124In0.022P0.146O0.584 | -8.899629 |
907 | Li0.83Mg0.83In0.17PO4 | 10.1021/cm504518q | 25 | -8.850781 | Olivine | Oxides | 8 | Li0.122Mg0.122In0.025P0.146O0.586 | 0 | 0 | Li0.122Mg0.122In0.025P0.146O0.586 | -8.850781 |
913 | Li3AlS3 | 10.1021/acs.chemmater.9b03230 | 25 | -7.882729 | Other | Sulphides | 9 | Li0.429Al0.143S0.429 | 0 | 3 | Li0.429Al0.143S0.429 | -7.882729 |
915 | Li6SiO4Cl2 | 10.1021/acs.chemmater.1c00157 | 25 | -10 | Argyrodite | OxidesandOtherAnions | 1 | Li0.462Si0.077O0.308Cl0.154 | 0 | 3 | Li0.462Si0.077O0.308Cl0.154 | -10 |
917 | LiTa2PO8 | 10.1039/C8TA09170F | 25 | -2.79588 | Other | Oxides | 9 | Li0.083Ta0.167P0.083O0.667 | 1 | 0 | Li0.083Ta0.167P0.083O0.667 | -2.79588 |
927 | Li0.022La0.118Ti0.2Al0.004O0.631 | 10.1007/BF02378009 | 30 | -3.049976 | Perovskite | Oxides | 10 | Li0.023La0.121Ti0.205Al0.004O0.647 | 1 | 6 | Li0.023La0.121Ti0.205Al0.004O0.647 | -3.049976 |
930 | Li2ZrS3 | 10.1016/j.ssi.2008.01.055 | 30 | -5.136677 | Thio-LISICON | Sulphides | 13 | Li0.333Zr0.167S0.5 | 0 | 5 | Li0.333Zr0.167S0.5 | -5.136677 |
931 | Li0.022La0.115Ti0.165Al0.055O0.618 | 10.1007/BF02378009 | 30 | -3.280006 | Perovskite | Oxides | 10 | Li0.023La0.118Ti0.169Al0.056O0.634 | 1 | 6 | Li0.023La0.118Ti0.169Al0.056O0.634 | -3.280006 |
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