• Formula : Mn5Si3
  • Space Group : P6_3/mcm (193)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.8971
    b = 6.8971
    c = 4.8075
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 174
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.949
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Mavlyanovite, Mn5Si3: a new mineral species from a lamproite diatreme, Chatkal Ridge, Uzbekistan Locality: Chatkal Ridge, Uzbekistan,
    Mineralogical Magazine 73, 43 (2009)

Band structure with spin-orbit coupling