• Formula : S
  • Space Group : Pnnm (58)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 4.725
    b = 9.104
    c = 14.532
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 144
  • Band gap = 2.1436 eV
    Direct Gap = 2.304 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 26463

Band structure with spin-orbit coupling