• Formula : Ag(AuF4)2
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.229
    b = 11.008
    c = 5.515
    α = 90.0
    β = 94.91
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 178
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.470
    Topological Z2 indices ν = (0;101)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Synthese und Struktur von Silber(II)-tetrafluoroaurat(III) Ag (Au F4)2,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 623, 1729 (1997)

Band structure with spin-orbit coupling