• Formula : Mn(BW)2
  • Space Group : P4/mbm (127)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.786
    b = 5.786
    c = 3.16
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 98
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 1.000
    Topological Z2 indices ν = (1;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ternary phases with the structure of the U3 Si2 type in the W-Mn-B and Mo-Mn-B systems,
    Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Tekhnichni ta Matematichni Nauki 1968, 951 (1968)

Band structure with spin-orbit coupling