• Formula : ZrGe2
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.7893
    b = 14.975
    c = 3.7606
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 24
  • Band gap = 0.0 eV
    Direct Gap = 0.008 eV
    Metallicity = 0.223
    Topological Z2 indices ν = (1;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The Structures of Zr Ge2, Hf Si2 and Hf Ge2,
    Acta Crystallographica (1,1948-23,1967) 10, 341 (1957)

Band structure with spin-orbit coupling