• Formula : KNa3WO5
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.078
    b = 7.539
    c = 9.118
    α = 90.0
    β = 104.07
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 188
  • Band gap = 3.6902 eV
    Direct Gap = 3.723 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 40249

Band structure with spin-orbit coupling