• Formula : CaGa2Ni
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.0578
    b = 10.3639
    c = 6.9592
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 92
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.691
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of calcium nickel digallide, CaNiGa2,
    Zeitschrift f\"ur Kristallographie - New Crystal Structures 226, 439 (2011)

Band structure with spin-orbit coupling