• Formula : Na2SbAu
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.279
    b = 7.562
    c = 5.841
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 68
  • Band gap = 0.1268 eV
    Direct Gap = 0.189 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Na2 Au As, Na2 Au Sb, K2 Au Sb - drei neue A2 B X-Verbindungen mit B-X-Kettenstruktur,
    Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986) 35, 1055 (1980)

Band structure with spin-orbit coupling