• Formula : PdPbO2
  • Space Group : Imma (74)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.46
    b = 5.463
    c = 4.66
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 88
  • Band gap = 0.0 eV
    Direct Gap = 0.441 eV
    Metallicity = 0.182
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Neue Vernetzung planarer Polyeder um Pd2+ in Pb Pd O2,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 442, 26 (1978)

Band structure with spin-orbit coupling