• Formula : Ni(AuF4)2
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.488
    b = 5.466
    c = 10.359
    α = 90.0
    β = 100.5
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 176
  • Band gap = 0.0 eV
    Direct Gap = 0.022 eV
    Metallicity = 0.147
    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 mit M(II) = Ni, Pd,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 623, 434 (1997)

Band structure with spin-orbit coupling