• Formula : LiMg2Tl
  • Space Group : Fm-3m (225)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.837
    b = 6.837
    c = 6.837
    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 = 0.382 eV
    Metallicity = 0.358
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Li Mg2 Tl: preparation and structure,
    Acta Crystallographica (1,1948-23,1967) 18, 817 (1965)

Band structure with spin-orbit coupling