• Formula : Na2SO4
  • Space Group : Fddd (70)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.85
    b = 12.29
    c = 9.75
    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 = 5.2961 eV
    Direct Gap = 5.316 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of anhydrous sodium sulfate Na2 S O4,
    Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 81, 92 (1932)

Band structure with spin-orbit coupling