• Formula : Ba(AlGe)2
  • Space Group : I4/mmm (139)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.185
    b = 4.185
    c = 13.4531
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 5
    Total number of electrons per primitive cell = 24
  • Band gap = 0.0 eV
    Direct Gap = 0.028 eV
    Metallicity = 0.264
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ba Al2 Ge2 : synthesis, crystal structure, magnetic and electronic properties, chemical bonding and atomistic model of the alpha - beta phase transition,
    Solid State Sciences 5, 139 (2003)

Band structure with spin-orbit coupling