• Formula : PbO
  • Space Group : P4/nmm (129)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.6124
    b = 5.6089
    c = 4.9924
    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 = 1.1691 eV
    Direct Gap = 2.163 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Monoxyde quadratique PbO alpha(I): Description de la transition structurale ferroelastique Method: Neutron Diffraction T = 2 K Locality: synthetic,
    Journal of Solid State Chemistry 57, 343 (1985)

Band structure with spin-orbit coupling