• Formula : SrGa4
  • Space Group : I4/mmm (139)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.44
    b = 4.44
    c = 10.75
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 5
    Total number of electrons per primitive cell = 62
  • Band gap = 0.0 eV
    Direct Gap = 0.011 eV
    Metallicity = 0.237
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Binary intermetallic compounds of the Ba Al4 type containing gallium,
    Kristallografiya 10, 471 (1965)

Band structure with spin-orbit coupling