• Formula : ZnWO4
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.7013
    b = 5.8207
    c = 4.889
    α = 88.678
    β = 92.073
    γ = 96.099
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 128
  • Band gap = 2.6316 eV
    Direct Gap = 2.818 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Distortion Characteristics Across the Structural Phase Transition in (Cu~1{-~<i>x</i>}Zn~<i>x~</i>)WO~4~,
    Acta Crystallographica Section B 53, 102 (1997)

Band structure with spin-orbit coupling