TABLE I: The lattice constant in the c axial direction, the electronic ground state (BS), the band gap for semiconductor and half metal cases, the total supercell magnetic moment (M) per TM and valence electron distribution (VED) of [TM 2 (Ant)] ∞ (TM= Sc, Ti, V, Cr, Mn and Fe). meV c ( ˚ A) GS band gap (eV) M( µ $_{B}$) VED Sc 7.89 NN (metal) 0.00 0.00 3d $^{1}$4s2 Ti 7.37 FA (metal) 0.00 0.00 3d $^{2}$4s2 V 7.01 FF (half metal) 0.76(direct) 2.00 3d $^{3}$4s2 Cr 6.79 FF (half metal) 1.25(direct) 0.96 3d $^{4}$4s2 Mn 6.64 NN (semicond) 0.66(direct) 0.00 3d $^{5}$4s2 Fe 6.87 AF (metal) 0.00 0.00 3d $^{6}$4s2 9