• Formula : ZrCu
  • Space Group : Cm (8)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.356
    b = 8.504
    c = 5.34
    α = 90.0
    β = 105.51
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 60
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.600
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 167598

Band structure with spin-orbit coupling