• Formula : Zr2Ni7
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.657
    b = 8.191
    c = 12.102
    α = 90.0
    β = 95.509
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 78
  • Band gap = 0.0 eV
    Direct Gap = 0.018 eV
    Metallicity = 0.476
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 647170

Band structure with spin-orbit coupling