• Formula : RbAuBr4
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 10.299
    b = 6.214
    c = 7.436
    α = 90.0
    β = 121.33
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 96
  • Band gap = 1.5384 eV
    Direct Gap = 1.564 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Kristallchemischer Vergleich der Strukturen von Rb Au Cl4 und Rb Au Br4.,
    Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) 134, 471 (1971)

Band structure with spin-orbit coupling