• Formula : Cs2Pd3S4
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.275
    b = 14.02
    c = 6.166
    α = 90.0
    β = 120.6
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 96
  • Band gap = 1.4138 eV
    Direct Gap = 1.552 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 26250

Band structure with spin-orbit coupling