• Formula : Y
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.6474
    b = 3.6474
    c = 5.7306
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 22
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.918
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structures and lattice parameters of high-purity scandium, yttrium and the rare earth metals Locality: synthetic Note: sample 99.4% pure,
    Acta Crystallographica 9, 559 (1956)

Band structure with spin-orbit coupling