• Formula : Sb2S2O
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 20.971
    b = 8.16
    c = 20.378
    α = 90.0
    β = 101.5
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 112
  • Band gap = 0.0 eV
    Direct Gap = 1.072 eV
    Metallicity = 1.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die kristallstruktur des kermesits, Sb2S2O,
    Naturwissenschaften 54, 114 (1967)

Band structure with spin-orbit coupling