• Formula : WOF4
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 9.65
    b = 14.42
    c = 5.15
    α = 90.0
    β = 95.4
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 248
  • Band gap = 1.5645 eV
    Direct Gap = 1.567 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Fluoride crystal structures. Part I. Tunqsten oxide tetrafluoride,
    Journal of the Chemical Society A: Inorganic, Physical, Theoretical (1966-1971) 1968, 2074 (1968)

Band structure with spin-orbit coupling