• Formula : Y2Zn17
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.9719
    b = 8.9719
    c = 13.1414
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 19
    Total number of electrons per primitive cell = 226
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.513
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal chemistry of some Th2 Zn17-type rare-earth-zinc phases,
    Journal of the Less-Common Metals 127, 189 (1987)

Band structure with spin-orbit coupling