• Formula : Pb2O
  • Space Group : Pn-3m (224)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.38
    b = 5.38
    c = 5.38
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 68
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.208
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Il sottossido di piombo,
    Gazzetta Chimica Italiana 56, 630 (1926)

Band structure with spin-orbit coupling