• Formula : RbAg3S2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 16.13
    b = 4.306
    c = 8.77
    α = 90.0
    β = 114.6
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 108
  • Band gap = 1.236 eV
    Direct Gap = 1.446 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ueber die Struktur von Cs Ag3 S2 und Rb Ag3 S2,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 430, 61 (1977)

Band structure with spin-orbit coupling