• Formula : MgGa2
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.343
    b = 4.343
    c = 6.982
    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 = 0.005 eV
    Metallicity = 0.510
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Strukturelle und konstitutionelle Untersuchungen im galliumreichen Teil des Systems Magnesium-Gallium,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 463, 170 (1980)

Band structure with spin-orbit coupling