• Formula : ZrAlPt
  • Space Group : P-62c (190)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.1042
    b = 7.1042
    c = 7.2145
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 102
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.608
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 156266

Band structure with spin-orbit coupling