• Formula : Zr2Ni7
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.698
    b = 8.235
    c = 12.193
    α = 90.0
    β = 95.83
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 156
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.724
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 2778

Band structure with spin-orbit coupling