• Formula : SbSCl9
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 14.055
    b = 10.551
    c = 8.822
    α = 90.0
    β = 110.05
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 148
  • Band gap = 1.8944 eV
    Direct Gap = 1.931 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 72391

Band structure with spin-orbit coupling