• Formula : MnNF3
  • Space Group : Pbam (55)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.952
    b = 8.543
    c = 5.949
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 82
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.931
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    X-ray and raman study of the low temperature NH4MnF3 structure;evidence of librational motion of the NH4^+^ ion _cod_database_code 1008535,
    Journal of Physics: Condensed Matter 5, 283 (1993)

Band structure with spin-orbit coupling