• Formula : RbAu5
  • Space Group : P6/mmm (191)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.762
    b = 5.762
    c = 4.442
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 64
  • Band gap = 0.0 eV
    Direct Gap = 0.024 eV
    Metallicity = 0.498
    Topological Z2 indices ν = (1;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Einkristallzuechtung und Strukturverfeinerung von K Au5 und Rb Au5,
    Journal of Alloys Compd. 196, 187 (1993)

Band structure with spin-orbit coupling