• Formula : Mn12Ge5
  • Space Group : R32 (155)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.091
    b = 7.091
    c = 16.264
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 17
    Total number of electrons per primitive cell = 200
  • Band gap = 33.0519 eV
    Direct Gap = 0.008 eV
    Metallicity = 1.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 192814

Band structure with spin-orbit coupling