• Formula : MnCoSi
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.8571
    b = 3.6881
    c = 6.8556
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 144
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.289
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure magnetique des Mn Co Si,
    Physica Status Solidi, Sectio A: Applied Research 45, 591 (1978)

Band structure with spin-orbit coupling