• Formula : Pb3O4
  • Space Group : Pbam (55)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.3812
    b = 6.461
    c = 3.3168
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 132
  • Band gap = 0.1559 eV
    Direct Gap = 0.643 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Bulk modulus and high-pressure crystal structures of minium, Pb3O4, determined by X-ray powder diffraction Sample: Phase III of Pb3O4 at 13.3 GPa,
    American Mineralogist 88, 996 (2003)

Band structure with spin-orbit coupling