• Formula : Ba(AgGe)2
  • Space Group : I4/mmm (139)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.58
    b = 4.58
    c = 10.69
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 5
    Total number of electrons per primitive cell = 40
  • Band gap = 0.0 eV
    Direct Gap = 0.037 eV
    Metallicity = 0.770
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Neue Vertreter des Th Cr2 Si2 -Typs und dessen Verwandtschaft zum Anti-PbFCl-Gitter,
    Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) 25, 1350 (1970)

Band structure with spin-orbit coupling