• Formula : AuClO
  • Space Group : R-3 (148)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.148
    b = 8.148
    c = 8.148
    α = 113.45
    β = 113.45
    γ = 113.45
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 144
  • Band gap = 1.1439 eV
    Direct Gap = 1.248 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Gold(III) chloride oxide,
    Acta Crystallographica B (24,1968-38,1982) 35, 2380 (1979)

Band structure with spin-orbit coupling