• Formula : CsS3
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 11.53
    b = 9.18
    c = 4.67
    α = 89.22
    β = 95.2
    γ = 95.13
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 108
  • Band gap = 1.511 eV
    Direct Gap = 1.621 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 24678

Band structure with spin-orbit coupling