• Formula : ZnPt
  • Space Group : P4/mmm (123)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 2.864
    b = 2.864
    c = 3.51
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 22
  • Band gap = 0.0 eV
    Direct Gap = 0.008 eV
    Metallicity = 0.481
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstrukturen von Pt Zn, Pt Cd und Pd Cd,
    Monatshefte fuer Chemie (-108,1977) 81, 1164 (1950)

Band structure with spin-orbit coupling