• Formula : MnCrF5
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.586
    b = 6.291
    c = 7.381
    α = 90.0
    β = 115.46
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 128
  • Band gap = 0.0 eV
    Direct Gap = 0.024 eV
    Metallicity = 0.250
    Topological Z2 indices ν = (0;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    La structure cristalline de Mn Cr F~5~,
    Acta Crystallographica B (24,1968-38,1982) 33, 1409 (1977)

Band structure with spin-orbit coupling