• Formula : Zr7As4
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 16.202
    b = 3.6778
    c = 15.0394
    α = 90.0
    β = 104.66
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 96
  • Band gap = 0.0 eV
    Direct Gap = 0.008 eV
    Metallicity = 0.833
    Topological Z2 indices ν = (0;001)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 611614

Band structure with spin-orbit coupling