• Formula : Zr3(MnGa3)2
  • Space Group : Pmmn (59)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.764
    b = 5.434
    c = 7.766
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 240
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.271
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 600973

Band structure with spin-orbit coupling