• Formula : Cd(AuF4)2
  • Space Group : P4/mcc (124)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.75
    b = 5.75
    c = 10.348
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 180
  • Band gap = 1.9123 eV
    Direct Gap = 1.912 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Synthese und Struktur von M(II) (Au F4)2 (M(II) = Cd, Hg),
    Zeitschrift fuer Anorganische und Allgemeine Chemie 623, 1719 (1997)

Band structure with spin-orbit coupling