• Formula : Cs2Pt3S4
  • Space Group : Fmmm (69)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 10.86
    b = 13.6
    c = 6.39
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 72
  • Band gap = 1.1613 eV
    Direct Gap = 1.421 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 26266

Band structure with spin-orbit coupling