• Formula : YGa6
  • Space Group : P4/nbm (125)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.947
    b = 5.947
    c = 7.549
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 178
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.695
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of Y Ga6,
    Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki 1985, 43 (1985)

Band structure with spin-orbit coupling