• Formula : AsS
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.967
    b = 9.355
    c = 8.921
    α = 90.0
    β = 102.52
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 88
  • Band gap = 1.7512 eV
    Direct Gap = 1.920 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The dual behavior of the beta-As4S4 altered by light,
    American Mineralogist 97, 890 (2012)

Band structure with spin-orbit coupling