• Formula : PbClO
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.1
    b = 9.7
    c = 4.05
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 108
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.436
    Topological Z2 indices ν = (1;011)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Etude roentgenographique de la laurionite Pb Cl (O H) _cod_database_code 1011083,
    Bulletin de la Societe Royal des Sciences de Liege 9, 166 (1940)

Band structure with spin-orbit coupling