• Formula : Ca(AlGe)2
  • Space Group : P-3m1 (164)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.1759
    b = 4.1759
    c = 7.1767
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 5
    Total number of electrons per primitive cell = 24
  • Band gap = 0.0 eV
    Direct Gap = 0.134 eV
    Metallicity = 0.202
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Refinement of the crystal structure of monocalcium dialuminide digermanide, Ca[Al~2~Ge~2~],
    Zeitschrift f\"ur Kristallographie - New Crystal Structures 216, 501 (2001)

Band structure with spin-orbit coupling