• Formula : Mg2Hg
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.219
    b = 4.617
    c = 8.799
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 128
  • Band gap = 0.0 eV
    Direct Gap = 0.076 eV
    Metallicity = 0.497
    Topological Z2 indices ν = (1;000)
  • 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