• Formula : Al2W
  • Space Group : P6_422 (181)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 4.7422
    b = 4.7422
    c = 6.6057
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 60
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.529
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure and high-pressure studies of W Al2, an aluminide crystallizing with the Cr Si2 structure type,
    Journal of Solid State Chemistry 181, 2719 (2008)

Band structure with spin-orbit coupling