• Formula : Li3Si3Ag2
  • Space Group : P4_2/nnm (134)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.055
    b = 6.055
    c = 6.164
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 86
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.725
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    X-ray investigations of the Li - Ag - (Si, Ge) systems at 470 K,
    Polish Journal of Chemistry 71, 712 (1997)

Band structure with spin-orbit coupling