• Formula : Mn2FeSbO6
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.2431
    b = 5.3935
    c = 7.6358
    α = 90.0
    β = 89.963
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 158
  • Band gap = 8.8163 eV
    Direct Gap = 0.000 eV
    Metallicity = 1.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 181147

Band structure with spin-orbit coupling