• Formula : Mn3WO6
  • Space Group : R-3 (148)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.8931
    b = 8.8931
    c = 10.4782
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 190
  • Band gap = 0.0 eV
    Direct Gap = 0.008 eV
    Metallicity = 0.504
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ein neues Mangan(II)-Oxowolframat: Mn3 W O6,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 620, 733 (1994)

Band structure with spin-orbit coupling