• Formula : Cs2PtCl4
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 10.404
    b = 10.133
    c = 9.9598
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 112
  • Band gap = 1.8445 eV
    Direct Gap = 1.845 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Kristallstrukturuntersuchung an Cs2PtCl4,
    Neues Jahrbuch fur Mineralogie, Monatshefte 1979, 81 (1979)

Band structure with spin-orbit coupling