• Formula : CaHgPb
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.909
    b = 4.909
    c = 7.367
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 72
  • Band gap = 0.0 eV
    Direct Gap = 0.007 eV
    Metallicity = 0.301
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    R M X compounds formed by alkaline earths, europium and ytterbium- III, Ternary phases with M= Mg, Hg and X= Si, Ge, Sn, Pb,
    Journal of Alloys Compd. 196, 145 (1993)

Band structure with spin-orbit coupling