• Formula : K2Ag4S3
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 17.36
    b = 4.296
    c = 11.603
    α = 90.0
    β = 108.32
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 160
  • Band gap = 0.17 eV
    Direct Gap = 0.170 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    K2 Ag4 S3 und Rb2 Ag4 S3, Synthese und Struktur,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 425, 109 (1976)

Band structure with spin-orbit coupling