• Formula : Mn2V2O7
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.719
    b = 8.719
    c = 4.966
    α = 90.0
    β = 103.6
    γ = 90.0
  • Number of atoms per primitive cell = 11
    Total number of electrons per primitive cell = 98
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.755
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Possible disorder in the thortveitite-type Mn2V2O7 structure,
    Neues Jahrbuch fur Mineralogie, Monatshefte 1984, 283 (1984)

Band structure with spin-orbit coupling