• Formula : SrLiSb
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.0436
    b = 4.8163
    c = 8.4547
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 72
  • Band gap = 0.4973 eV
    Direct Gap = 0.497 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Synthesis, structure and properties of a new Zintl phase: Sr Li Sb,
    Journal of Solid State Chemistry 179, 1318 (2006)

Band structure with spin-orbit coupling