• Formula : Na2SeO4
  • Space Group : Fddd (70)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.099
    b = 12.59
    c = 10.163
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 96
  • Band gap = 3.7333 eV
    Direct Gap = 3.772 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    A note on the structure of Na2 Se O4,
    Acta Crystallographica B (24,1968-38,1982) 26, 436 (1970)

Band structure with spin-orbit coupling