• Formula : Li2MgPb
  • Space Group : Fm-3m (225)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.781
    b = 6.781
    c = 6.781
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 30
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.455
    Topological Z2 indices ν = (1;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, 215 (1979)

Band structure with spin-orbit coupling