• Formula : Na2WO4
  • Space Group : Fd-3m (227)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.12974
    b = 9.12974
    c = 9.12974
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 112
  • Band gap = 0.0 eV
    Direct Gap = 0.120 eV
    Metallicity = 1.000
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structures of spinel-type Na~2~MoO~4~ and Na~2~WO~4~ revisited using neutron powder diffraction,
    Acta Crystallographica Section E 71, 592 (2015)

Band structure with spin-orbit coupling