• Formula : LiAlAg2
  • Space Group : Fm-3m (225)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.3155
    b = 6.3155
    c = 6.3155
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 28
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.853
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Exploration of the lithium aluminum silver system. Crystal and electronic structure analysis of new phases Li6.98 Al4.15 Ag0.87 and Li Al Ag2,
    Solid State Sciences 6, 1429 (2004)

Band structure with spin-orbit coupling