• Formula : KHg2
  • Space Group : Imma (74)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.1
    b = 5.16
    c = 8.77
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 66
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.655
    Topological Z2 indices ν = (0;100)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structures of K Hg and K Hg2,
    Acta Crystallographica (1,1948-23,1967) 8, 705 (1955)

Band structure with spin-orbit coupling