• Formula : Hf3Ni7
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.5138
    b = 6.589
    c = 7.6271
    α = 104.87
    β = 104.6
    γ = 112.71
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 212
  • Band gap = 0.0 eV
    Direct Gap = 0.019 eV
    Metallicity = 0.727
    Topological Z2 indices ν = (0;110)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 2417

Band structure with spin-orbit coupling