• Formula : Mg2Cu
  • Space Group : Fddd (70)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.07
    b = 5.284
    c = 18.25
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 124
  • Band gap = 0.0 eV
    Direct Gap = 0.004 eV
    Metallicity = 0.623
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Kristallstruktur von Ni Mg2, Cu Mg2 und Au Mg3,
    Zeitschrift fuer Metallkunde 42, 321 (1951)

Band structure with spin-orbit coupling