• Formula : Ag3Sn
  • Space Group : Pmmn (59)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.968
    b = 4.7802
    c = 5.1843
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 94
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.926
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of two compounds found in dental amalgam: Ag2Hg3 and Ag3Sn Locality: synthetic,
    Acta Crystallographica, Section B 28, 371 (1972)

Band structure with spin-orbit coupling