• Formula : PtCI2O
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 10.772
    b = 9.077
    c = 13.001
    α = 90.0
    β = 112.62
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 136
  • Band gap = 1.6393 eV
    Direct Gap = 1.719 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 68098

Band structure with spin-orbit coupling