• Formula : PtCl2
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 8.09
    b = 8.09
    c = 8.09
    α = 108.2
    β = 108.2
    γ = 108.2
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 144
  • Band gap = 0.6796 eV
    Direct Gap = 0.680 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 28527

Band structure with spin-orbit coupling