• Formula : CrSi
  • Space Group : P2_13 (198)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 4.62
    b = 4.62
    c = 4.62
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 72
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.683
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Roentgenuntersuchung der Legierungen von Silicium mit Chrom, Mangan, Kobalt und Nickel,
    Arkiv foer Kemi, Mineralogi och Geologi, A 11, 1 (1934)

Band structure with spin-orbit coupling