• Formula : RbAuO
  • Space Group : I4/mmm (139)
    Centrosymmetric : True
    Dimensionality : Unknown
  • Structure parameters
    a = 9.937
    b = 9.937
    c = 5.8193
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 104
  • Band gap = 0.0 eV
    Direct Gap = 0.004 eV
    Metallicity = 0.611
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of monorubidiumaurate(I), RbAuO,
    Zeitschrift f\"ur Kristallographie - New Crystal Structures 216, 482 (2001)

Band structure with spin-orbit coupling