MatHub-3d

Formula Gap (eV) Free Energy (eV) Space group type Space group Comment Calculation progress
Pt4Tb4 0 -43.682 'Pnma' 62 MatHub3d-72220-Pt4Tb4 Band
Mo4Zr2 0 -50.238 'Fd-3m' 227 MatHub3d-64410-Mo4Zr2 Band
Mo6Zr2 0 -63.957 'Pm-3n' 223 MatHub3d-64481-Mo6Zr2 Band
N2U1 0.710 -31.978 'Fm-3m' 225 MatHub3d-64986-N2U1 Transport
Al40Eu2V4 0 -186.608 'Fd-3m' 227 MatHub3d-4947-Al40Eu2V4 Band
Al4Gd6Ni12 0 -82.210 'Im-3m' 229 MatHub3d-3486-Al4Gd6Ni12 Band
Al38Gd6Ni10 0 -220.780 'Cmcm' 63 MatHub3d-4930-Al38Gd6Ni10 Band
Al3Gd1Pd2 0 -27.506 'P6/mmm' 191 MatHub3d-3014-Al3Gd1Pd2 Band
Al2Ge2La2 0 -30.179 'I4_1md' 109 MatHub3d-2678-Al2Ge2La2 Band
Al4Ho6Ni12 0 -82.611 'Im-3m' 229 MatHub3d-3567-Al4Ho6Ni12 Band
Al2Ir1Li1 0 -18.525 'Fm-3m' 225 MatHub3d-2753-Al2Ir1Li1 Band
Na16Pb16 0 -83.820 'I4_1/acd' 142 MatHub3d-66593-Na16Pb16 Band
Na1Pb3 0 -12.469 'Pm-3m' 221 MatHub3d-65708-Na1Pb3 Band
Pb2 0 -6.842 'R-3m' 166 MatHub3d-71562-Pb2 Band
Pb10 0 -34.861 'P6_3/mmc' 194 MatHub3d-71661-Pb10 Band
Na30Pb8 0 -73.321 'I-43d' 220 MatHub3d-66655-Na30Pb8 Band
Na2Pt4 0 -20.732 'Fd-3m' 227 MatHub3d-65902-Na2Pt4 Band
Na18Sn8 0 -58.664 'Cmcm' 63 MatHub3d-66610-Na18Sn8 Band
Na30Sn8 0 -75.393 'I-43d' 220 MatHub3d-66656-Na30Sn8 Band
Na2Tl2 0 -7.546 'Fd-3m' 227 MatHub3d-65918-Na2Tl2 Band
Na16Tl8 0 -41.428 'C222_1' 20 MatHub3d-66600-Na16Tl8 Band
Na2Zn26 0 -13.349 'Fm-3c' 226 MatHub3d-65919-Na2Zn26 Band
Nb20Ni4 0 -172.085 'Fd-3m' 227 MatHub3d-67068-Nb20Ni4 Band
Nb1Ni2Sn1 0 -18.209 'Fm-3m' 225 MatHub3d-66692-Nb1Ni2Sn1 Band
Nb6Os2 0 -68.526 'Pm-3n' 223 MatHub3d-66965-Nb6Os2 Band