• Formula : MgCd3
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.2335
    b = 6.2335
    c = 5.0449
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 92
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.554
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Magnesium-cadmium alloys. IV. The cadmium-rich alloys; some lattice parameters and phase relationships between 25 and 300 C. Structure of Mg Cd3,
    Journal of the American Chemical Society 52, 5256 (1952)

Band structure with spin-orbit coupling