• Formula : Na6ZnSn2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 10.077
    b = 5.4733
    c = 9.316
    α = 90.0
    β = 98.07
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 94
  • Band gap = 0.0 eV
    Direct Gap = 0.072 eV
    Metallicity = 0.126
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Na6ZnSn2, Na4.24K1.76(1)ZnSn2, and Na20Zn8Sn11: Three Intermetallic Structures Containing the Linear {Sn-Zn-Sn}(6-) Unit,
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 131, 1469 (2009)

Band structure with spin-orbit coupling