• Formula : NbAlRu2
  • Space Group : Fm-3m (225)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.135
    b = 6.135
    c = 6.135
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 48
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.145
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Caracterisation de trois nouvelles phases ternaires, Nb (pd, Al)2 et Nb (Ru, Al)2 de type Mg Zn2 et Nb Ru2 Al de type Bi F3 dans les systemes Nb-Pd-Al et Nb-Ru-Al,
    Journal of Alloys Compd. 201, 57 (1993)

Band structure with spin-orbit coupling