• Formula : PbClO
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 2D
  • 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 = 0.655
    Topological Z2 indices ν = (1;011)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure cristalline de la laurionite _cod_database_code 1011017,
    Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences 204, 702 (1937)

Band structure with spin-orbit coupling