• Formula : NaAl2Sb
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.4
    b = 5.4
    c = 8.81
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 40
  • Band gap = 0.0 eV
    Direct Gap = 0.004 eV
    Metallicity = 0.321
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ueber ein neues Mineral von Langban. _cod_database_code 1010488,
    Zeitschrift fur Kristallographie 60, 262 (1924)

Band structure with spin-orbit coupling