• Formula : NaHg
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.19
    b = 10.79
    c = 5.21
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 84
  • Band gap = 0.0 eV
    Direct Gap = 0.014 eV
    Metallicity = 0.562
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal strutures of Na Hg2, Na Hg and Na3 Hg2,
    Acta Crystallographica (1,1948-23,1967) 7, 277 (1954)

Band structure with spin-orbit coupling