• Formula : Cu6PbO8
  • Space Group : Fm-3m (225)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.314
    b = 9.314
    c = 9.314
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 15
    Total number of electrons per primitive cell = 128
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.271
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure of Cu~6~PbO~8~,
    Acta Crystallographica Section B 56, 22 (2000)

Band structure with spin-orbit coupling