• Formula : ZrPt
  • Space Group : Pm-3m (221)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.31
    b = 3.31
    c = 3.31
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 14
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.829
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Strukturuntersuchungen in einigen zu T(4)-T(9) homologen und quasihomolgen Legierungssystemen,
    Zeitschrift fuer Metallkunde 55, 704 (1964)

Band structure with spin-orbit coupling