• Formula : PdO
  • Space Group : P4_2/mmc (131)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.03
    b = 3.03
    c = 5.33
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 48
  • Band gap = 0.0 eV
    Direct Gap = 0.018 eV
    Metallicity = 0.125
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The structure of PdO Locality: synthetic,
    Acta Crystallographica 6, 661 (1953)

Band structure with spin-orbit coupling