• Formula : K3Sb2Au3
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.198
    b = 6.198
    c = 21.52
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 70
  • Band gap = 0.7493 eV
    Direct Gap = 0.749 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Verbindungen in den Systemen Kalium(Rubidium)/Gold/Antimon: K3 Au3 Sb2, Rb3 Au3 Sb2 und K1.74 Rb0.26 Rb Au3 Sb2,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 622, 635 (1996)

Band structure with spin-orbit coupling