• Formula : CsAuCl4
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 12.923
    b = 6.1715
    c = 9.6512
    α = 90.0
    β = 105.049
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 96
  • Band gap = 1.8939 eV
    Direct Gap = 1.944 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 423233

Band structure with spin-orbit coupling