• Formula : YAlSi
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.99476
    b = 10.2983
    c = 5.7085
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 36
  • Band gap = 0.0 eV
    Direct Gap = 0.015 eV
    Metallicity = 0.313
    Topological Z2 indices ν = (0;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structures of the R Al Si and R Al Ge compounds,
    Journal of Alloys Compd. 367, 162 (2004)

Band structure with spin-orbit coupling