• Formula : YZn3
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.69
    b = 4.405
    c = 10.111
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 188
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.763
    Topological Z2 indices ν = (1;011)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of Ho Zn3,
    Acta Crystallographica B (24,1968-38,1982) 24, 1267 (1968)

Band structure with spin-orbit coupling