• Formula : Sr4Mg3Al5
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.194
    b = 6.194
    c = 20.1576
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 170
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.897
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Phase Stability in the Systems AeAl2-xMgx (Ae = Ca, Sr, Ba): Electron Concentration and Size Controlled Variations on the Laves Phase Structural Theme,
    Inorganic Chemistry 43, 4751 (2004)

Band structure with spin-orbit coupling