• Formula : HfGa
  • Space Group : Pbcm (57)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.171
    b = 8.503
    c = 5.648
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 300
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.699
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of Hf Ga and of Hf3 Cr2 Si4,
    Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki 1986, 44 (1986)

Band structure with spin-orbit coupling