• Formula : ZrPt3
  • Space Group : Pm-3m (221)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.99
    b = 3.99
    c = 3.99
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 34
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.215
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Einige Strukturdaten metallischer Phasen, 13. Mitteilung,
    Naturwissenschaften 55, 542 (1968)

Band structure with spin-orbit coupling