• Formula : AgAuCl4
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 13.223
    b = 4.101
    c = 13.089
    α = 90.0
    β = 122.72
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 100
  • Band gap = 0.8582 eV
    Direct Gap = 0.858 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstruktur des Silbertetrachloroaurats(III) Ag Au Cl4 und seine kristallchemische Verwandtschaft zum Rubidiumtetrachloro- Aurat(III) Rb Au Cl4,
    Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 32, 741 (1977)

Band structure with spin-orbit coupling