• Formula : RbTeAu
  • Space Group : Pmma (51)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.936
    b = 5.078
    c = 7.205
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 52
  • Band gap = 0.7785 eV
    Direct Gap = 0.779 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Zur Synthese und Kristallstruktur von Alkalimetall-Gold-Chalcogeniden AAuX mit A= Na,K,Rb oder Cs und X= S, Se oder Te,
    Journal of Alloys Compd. 184, 87 (1992)

Band structure with spin-orbit coupling