• Formula : AgHgAsS3
  • Space Group : Cc (9)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.732
    b = 11.285
    c = 6.643
    α = 90.0
    β = 115.16
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 92
  • Band gap = 1.2735 eV
    Direct Gap = 1.278 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Laffittite, AgHgAsS3: crystal structure and second occurrence from the Getchell mine, Nevada,
    American Mineralogist 68, 235 (1983)

Band structure with spin-orbit coupling