• Formula : Mo3Pt
  • Space Group : Pm-3n (223)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.987
    b = 4.987
    c = 4.987
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 104
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.599
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Relations between the structures of phases in the system platinum-molybdenum,
    Journal of the Less-Common Metals 6, 451 (1964)

Band structure with spin-orbit coupling