• Formula : CsSnS3
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.289
    b = 7.597
    c = 6.796
    α = 114.8
    β = 108.56
    γ = 97.54
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 82
  • Band gap = 1.838 eV
    Direct Gap = 1.955 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 73008

Band structure with spin-orbit coupling