• Formula : Ni
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 2.622
    b = 2.622
    c = 4.321
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 20
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.590
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Existence of the hexagonal modification of nickel Locality: synthetic,
    Bulletin of the American Physical Society 10, 1140 (1965)

Band structure with spin-orbit coupling