The calculated lattice parameter a₀, volume V₀, bulk modulus B₀, derivative of the bulk equilibrium total energy E₀, cohesive energy (E_Coh) and formation energy (ΔH)_f for Ti₂FeAs for phases in the NM and FM states using the GGA-PBE and LSDA approximation.

Ti2FeAs	Phases	a 0 (Å)	V 0 (a.u3)		E 0 (Ry)	E Coh (eV per atom)	(ΔH)f (eV per atom)	ΔE (Ry) = ENM − EFM
PBE-GGA	FM	6.07	379.04	6.36	−10483.105	5.37	−0.71	0.016049
	NM	6.06	376.26	7.80	−10483.089
LSDA	FM	6.07	378.54	6.11	−10483.103	66.99	−0.64	17.71
	NM	5.93	352.13	3.15	−10465.391
		Ref. 54