• Formula : V3Sn
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.694
    b = 5.694
    c = 4.555
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 106
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.724
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Etude des composes V3 Sn, Fe3 Sn, de leurs solutions solides et de la phase Fe3.4-x Vx Sn.6,
    Annales de Chimie (Paris) 1969, 297 (1969)

Band structure with spin-orbit coupling