• Formula : Mg3Pd
  • Space Group : P6_3cm (185)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.987
    b = 7.987
    c = 8.422
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 288
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.732
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of trimagnesium monopalladium, Mg~3~Pd,
    Zeitschrift f\"ur Kristallographie - New Crystal Structures 220, 289 (2005)

Band structure with spin-orbit coupling