• Formula : Na3Hg2
  • Space Group : P4_2/mnm (136)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.4587
    b = 8.4587
    c = 7.7078
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 204
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.510
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Redetermination of Na~3~Hg~2~,
    Acta Crystallographica Section E 62, i129 (2006)

Band structure with spin-orbit coupling