• Formula : SiS4
  • Space Group : Cmmm (65)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.6
    b = 5.53
    c = 9.55
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 5
    Total number of electrons per primitive cell = 28
  • Band gap = 0.0 eV
    Direct Gap = 0.023 eV
    Metallicity = 0.465
    Topological Z2 indices ν = (1;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Siliciumdisulfid, ein anorganischer Faserstoff mit Kettenmolekuelen. _cod_database_code 1010272,
    Zeitschrift fur Physikalische Chemie, Abteilung A: Chemische 174, 301 (1935)

Band structure with spin-orbit coupling