• Formula : AsS
  • Space Group : Cmc2_1 (36)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 20.375
    b = 8.508
    c = 11.224
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 66
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.732
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structural studies of trifluorosulfur(IV)yl, (S F3)(+), salts including the crystal structure of (S F3)(+) (B F4)(-),
    Inorganic Chemistry 11, 2325 (1972)

Band structure with spin-orbit coupling