• Formula : Mg3Hg
  • Space Group : R32 (155)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 8.351
    b = 8.351
    c = 25.845
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 252
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.649
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Contribution to the system Mg-Au-Hg,
    Philips Journal of Research 39, 275 (1984)

Band structure with spin-orbit coupling