• Formula : Pb(ClO)2
  • Space Group : Ccce (68)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.004
    b = 12.504
    c = 6.01
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 160
  • Band gap = 0.0 eV
    Direct Gap = 0.039 eV
    Metallicity = 0.192
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structures of lead chlorite, magnesium chlorite hexahydrate and silver chlorite Sample: Compound (I),
    Acta Crystallographica, Section C 46, 1755 (1990)

Band structure with spin-orbit coupling