• Formula : MnNb3O6
  • Space Group : Immm (71)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.1057
    b = 10.142
    c = 6.5341
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 180
  • Band gap = 0.0 eV
    Direct Gap = 0.007 eV
    Metallicity = 0.314
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure and magnetic susceptibility of MnNb3O6,
    Solid State Sciences 1, 567 (1999)

Band structure with spin-orbit coupling