• Formula : Y6WO12
  • Space Group : R-3 (148)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.7505
    b = 9.7505
    c = 9.3094
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 19
    Total number of electrons per primitive cell = 152
  • Band gap = 2.6184 eV
    Direct Gap = 2.679 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    X-ray powder diffraction data and Rietveld refinement for Ln6 W O12(Ln = Y, Ho),
    Powder Diffraction 15, 220 (2000)

Band structure with spin-orbit coupling