• Formula : Li
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 3.111
    b = 3.111
    c = 5.093
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 6
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.710
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    X-ray study of the alkali metals at low temperatures Locality: synthetic Sample: at T = 78 K Note: lattice parameters are average of 4 values,
    Acta Crystallographica 9, 671 (1956)

Band structure with spin-orbit coupling