• Formula : Sr5(AuO4)2
  • Space Group : F222 (22)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 11.7449
    b = 11.7407
    c = 6.5155
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 15
    Total number of electrons per primitive cell = 120
  • Band gap = 0.8956 eV
    Direct Gap = 0.898 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Zur Kenntnis von Sr5 Au2 O8,
    Journal of Alloys Compd. 186, 105 (1992)

Band structure with spin-orbit coupling