• Formula : Ag2HgS2
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.0394
    b = 8.005
    c = 6.5812
    α = 90.0
    β = 107.12
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 92
  • Band gap = 0.5114 eV
    Direct Gap = 0.511 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    L'imiterite, Ag2HgS2 nouvelle espece minerale; proprietes et structure cristalline Locality: Tinerhir, Boulmane, Morocco,
    Bulletin de Mineralogie 108, 457 (1985)

Band structure with spin-orbit coupling