• Formula : Hf3(MnGa3)2
  • Space Group : Pmmn (59)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.699
    b = 5.376
    c = 7.704
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 288
  • Band gap = 0.0 eV
    Direct Gap = 0.021 eV
    Metallicity = 0.315
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of the Hf3 Mn2 Ga6 compound and its analogs,
    Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geologichni, Khimichni ta Biologichni Nauki 1987, 44 (1987)

Band structure with spin-orbit coupling