• Formula : NaAuO2
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : Unknown
  • Structure parameters
    a = 3.8956
    b = 11.373
    c = 5.685
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 64
  • Band gap = 1.5095 eV
    Direct Gap = 2.066 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of sodium aurate(III), NaAuO~2~,
    Zeitschrift f\"ur Kristallographie - New Crystal Structures 216, 326 (2001)

Band structure with spin-orbit coupling