• Formula : Hf3Rh5
  • Space Group : Pbam (55)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.58
    b = 10.73
    c = 4.25
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 242
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.872
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    New A3 B5 phases of the titanium group metals with rhodium,
    Transactions of the Metallurgical Society of Aime 245, 1207 (1969)

Band structure with spin-orbit coupling