• Formula : AgBiSe2
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.022
    b = 7.022
    c = 7.022
    α = 34.5
    β = 34.5
    γ = 34.5
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 38
  • Band gap = 0.0 eV
    Direct Gap = 0.452 eV
    Metallicity = 0.027
    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 Sample: quenched from T = 240 C,
    Acta Crystallographica 12, 46 (1959)

Band structure with spin-orbit coupling