• Formula : KHg
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.59
    b = 6.76
    c = 7.06
    α = 106.08
    β = 101.87
    γ = 92.79
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 84
  • Band gap = 0.0 eV
    Direct Gap = 0.028 eV
    Metallicity = 0.152
    Topological Z2 indices ν = (0;010)
  • 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