• Formula : VRh
  • Space Group : P4/mmm (123)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 2.749
    b = 2.749
    c = 3.595
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 30
  • Band gap = 0.0 eV
    Direct Gap = 0.011 eV
    Metallicity = 0.598
    Topological Z2 indices ν = (1;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    A physicochemocal study of rhodium-vanadium interaction,
    Vestnik Moskovskogo Universiteta, Khimiya 32, 40 (1977)

Band structure with spin-orbit coupling