• Formula : RbAuSe
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.782
    b = 8.332
    c = 6.744
    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 = 1.6696 eV
    Direct Gap = 1.949 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of rubidiumselenoaurate(I), Rb Au Se,
    Zeitschrift fuer Kristallographie (149,1979-) 211, 549 (1996)

Band structure with spin-orbit coupling