• Formula : PbS
  • Space Group : R3m (160)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 4.59
    b = 4.59
    c = 4.59
    α = 56.11
    β = 56.11
    γ = 56.11
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 20
  • Band gap = 0.9607 eV
    Direct Gap = 0.966 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 183243

Band structure with spin-orbit coupling