• Formula : ZrAg
  • Space Group : P4/nmm (129)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.468
    b = 3.468
    c = 6.603
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 30
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.856
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    An X-ray study of the phases in the silver-zirconium system,
    Acta Chemica Scandinavica (1-27,1973-42,1988) 6, 1424 (1952)

Band structure with spin-orbit coupling