• Formula : Cs2SiS3
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.869
    b = 7.138
    c = 11.323
    α = 90.0
    β = 100.12
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 80
  • Band gap = 3.0578 eV
    Direct Gap = 3.089 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 409176

Band structure with spin-orbit coupling