• Formula : PdF2
  • Space Group : Pa3 (205)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.329
    b = 5.329
    c = 5.329
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 128
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.323
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    On a new structural type of fluorine compounds: crystal and magnetic structures of a high pressure form of Pd F~2~,
    Materials Research Bulletin 16, 207 (1981)

Band structure with spin-orbit coupling