• Formula : S(ClO)2
  • Space Group : F2dd (43)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 15.425
    b = 10.336
    c = 5.422
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 64
  • Band gap = 4.2223 eV
    Direct Gap = 4.232 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 62970

Band structure with spin-orbit coupling