• Formula : In6WO12
  • Space Group : R-3 (148)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.2277
    b = 6.2277
    c = 6.2277
    α = 99.01
    β = 99.01
    γ = 99.01
  • Number of atoms per primitive cell = 19
    Total number of electrons per primitive cell = 164
  • Band gap = 2.2144 eV
    Direct Gap = 2.226 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The Structure of Indium Tungstate In~6~ W O~12~: Its Relation with the Fluorite Structure,
    Acta Crystallographica B (24,1968-38,1982) 38, 1437 (1982)

Band structure with spin-orbit coupling