• Formula : PPdS
  • Space Group : Pbcn (60)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 13.3045
    b = 5.6777
    c = 5.6932
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 232
  • Band gap = 0.8446 eV
    Direct Gap = 1.010 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 2331

Band structure with spin-orbit coupling