MatHub-3d

Formula Gap (eV) Free Energy (eV) Space group type Space group Comment Calculation progress
La1Tl1 0 -7.785 'Pm-3m' 221 MatHub3d-58031-La1Tl1 Band
La3Tl1 0 -17.297 'Pm-3m' 221 MatHub3d-58250-La3Tl1 Band
Li2Mg1Pb1 0 -9.929 'Fm-3m' 225 MatHub3d-59037-Li2Mg1Pb1 Band
Li1Mg1Pt1Sn1 0 -14.018 'F-43m' 216 MatHub3d-58743-Li1Mg1Pt1Sn1 Band
Li1Mg2Tl1 0 -7.580 'Fm-3m' 225 MatHub3d-58751-Li1Mg2Tl1 Band
Li2Mg1Tl1 0 -8.344 'Fm-3m' 225 MatHub3d-59040-Li2Mg1Tl1 Band
Li10Na4Sn8 0 -59.846 'R-3m' 166 MatHub3d-61630-Li10Na4Sn8 Band
Li1Pb1 0 -6.020 'Pm-3m' 221 MatHub3d-58931-Li1Pb1 Band
Li3Pb1 0 -10.596 'Fm-3m' 225 MatHub3d-59891-Li3Pb1 Band
Li1Pb1Pd2 0 -13.917 'Fm-3m' 225 MatHub3d-58932-Li1Pb1Pd2 Band
Li1Pd1 0 -6.170 'Pm-3m' 221 MatHub3d-58934-Li1Pd1 Band
Cr4Cu2K4O28P4 0.059 -262.346 'P2_1/c' 14 MatHub3d-35189-Cr4Cu2K4O28P4 Band
Li1Pd1 0.031 -6.096 'P-6m2' 187 MatHub3d-58935-Li1Pd1 Band
Li2Pd1 0 -8.269 'P6/mmm' 191 MatHub3d-59657-Li2Pd1 Band
Li3Pd1 0 -10.302 'Fm-3m' 225 MatHub3d-59893-Li3Pd1 Band
Li1Pt1 0 -7.113 'P-6m2' 187 MatHub3d-58959-Li1Pt1 Band
Li2Pt4 0 -22.312 'Fd-3m' 227 MatHub3d-59670-Li2Pt4 Band
Li1Pt7 0 -31.464 'Fm-3m' 225 MatHub3d-58969-Li1Pt7 Band
Li2Pt1 0 -9.488 'P6/mmm' 191 MatHub3d-59666-Li2Pt1 Band
Li3Sn3 0 -19.182 'P2/m' 10 MatHub3d-59907-Li3Sn3 Band
Li5Sn2 0 -19.918 'R-3m' 166 MatHub3d-60884-Li5Sn2 Band
Li14Sn4 0 -48.548 'Cmmm' 65 MatHub3d-61934-Li14Sn4 Band
Li14Sn6 0 -57.386 'P2_1/m' 11 MatHub3d-61935-Li14Sn6 Band
Li13Sn5 0 -51.002 'P-3m1' 164 MatHub3d-61895-Li13Sn5 Band
Li2Sn1Zn1 0 -9.019 'Fm-3m' 225 MatHub3d-59698-Li2Sn1Zn1 Band