• Formula : Bi2WO6
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.37422
    b = 3.854296
    c = 16.44044
    α = 90.0
    β = 102.3337
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 188
  • Band gap = 1.9362 eV
    Direct Gap = 2.313 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Unusual high-temperature structural behaviour in ferroelectric Bi2 W O6,
    Chemistry - A European Journal 12, 1493 (2006)

Band structure with spin-orbit coupling