• Formula : MgGaAu2
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.4015
    b = 4.4015
    c = 8.5398
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 90
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.830
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    MgAuGa and MgAu~2~Ga: first representatives of the Mg--Au--Ga system,
    Acta Crystallographica Section C 70, 355 (2014)

Band structure with spin-orbit coupling