• Formula : Na6MnS4
  • Space Group : P6_3mc (186)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 8.996
    b = 8.996
    c = 6.951
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 186
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.568
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Magnetic properties of the ternary sulfide Na6 Mn S4,
    Journal of Alloys Compd. 338, 116 (2002)

Band structure with spin-orbit coupling