• Formula : Mg3Hg
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.868
    b = 4.868
    c = 8.639
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 84
  • Band gap = 0.0 eV
    Direct Gap = 0.023 eV
    Metallicity = 0.588
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Roentgenuntersuchungen im System Magnesium-Quecksilber,
    Zeitschrift fuer Metallkunde 38, 81 (1947)

Band structure with spin-orbit coupling