• Formula : PbS
  • Space Group : Cm2e (39)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 5.834
    b = 5.801
    c = 11.902
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 40
  • Band gap = 1.0016 eV
    Direct Gap = 1.003 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 68701

Band structure with spin-orbit coupling