• Formula : LiMg2Ga
  • Space Group : Fm-3m (225)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.569
    b = 6.569
    c = 6.569
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 36
  • Band gap = 0.0 eV
    Direct Gap = 0.888 eV
    Metallicity = 0.316
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    An investigation of the ternary Mg-Li-(Ga, Ge, In, Tl, Pb) systems,
    Izvestiya Akademii Nauk SSSR, Metally 1979, 192 (1979)

Band structure with spin-orbit coupling