• Formula : SiS2
  • Space Group : Ibam (72)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.57
    b = 5.65
    c = 5.54
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 32
  • Band gap = 2.6018 eV
    Direct Gap = 2.896 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Struktur des Siliciumdisulfids,
    Naturwissenschaften 23, 740 (1935)

Band structure with spin-orbit coupling