• Formula : PbCClO2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.9411
    b = 5.8714
    c = 9.4212
    α = 90.0
    β = 95.232
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 74
  • Band gap = 2.7433 eV
    Direct Gap = 2.837 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 99805

Band structure with spin-orbit coupling