• Formula : PbS
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.45
    b = 5.38
    c = 6.93
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 80
  • Band gap = 0.0 eV
    Direct Gap = 0.333 eV
    Metallicity = 0.027
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The Crystal Structures of Barytes, Celestine and Anglesite _cod_database_code 1010950,
    Proceedings of the Royal Society of London 109, 598 (1925)

Band structure with spin-orbit coupling