• Formula : AgBiS2
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.07
    b = 4.07
    c = 19.06
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 38
  • Band gap = 0.198 eV
    Direct Gap = 0.737 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ternary semiconducting compounds with sodium chloride-like structure: AgSbSe2, AgSbTe2, AgBiS2, AgBiSe2 Locality: synthetic Sample: annealed at T = 152 C for t = 15 days,
    Acta Crystallographica 12, 46 (1959)

Band structure with spin-orbit coupling