• Formula : BaCdGe
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.701
    b = 4.701
    c = 9.402
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 52
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.190
    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 - II. Ternary phases with M= Zn, Cd and X= Si, Ge, Sn, Pb,
    Journal of the Less-Common Metals 171, 329 (1991)

Band structure with spin-orbit coupling