• Formula : PbS
  • Space Group : Pmnb (62)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 9.48
    b = 4.28
    c = 6.31
    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 = 0.9413 eV
    Direct Gap = 0.962 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 183241

Band structure with spin-orbit coupling