• Formula : Mg(ScGa)2
  • Space Group : P4/mbm (127)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.1577
    b = 7.1577
    c = 3.9166
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 116
  • Band gap = 0.0 eV
    Direct Gap = 0.007 eV
    Metallicity = 0.746
    Topological Z2 indices ν = (0;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Sc~2~MgGa~2~ and Y~2~MgGa~2~,
    Acta Crystallographica Section C 65, i7 (2009)

Band structure with spin-orbit coupling