• Formula : Zr3Cd2
  • Space Group : Pmmm (47)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 7.86
    b = 6.52
    c = 5.3
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 5
    Total number of electrons per primitive cell = 60
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.667
    Topological Z2 indices ν = (1;001)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 102092

Band structure with spin-orbit coupling