• Formula : Fe2AgS3
  • Space Group : Cmce (64)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.615
    b = 11.639
    c = 12.693
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 180
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.585
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of sternbergite, AgFe2S3 Locality: Medenec, Krusne hory Mts, Czechoslovakia,
    Neues Jahrbuch fur Mineralogie, Monatshefte 1987, 458 (1987)

Band structure with spin-orbit coupling