Ab Initio Investigation of Nitride in Comparison with Carbide Phase of Superconducting 𝐓𝐢_𝟐InX (X = C, N)

Table 1

Calculated lattice parameters (𝑎 and 𝑐 in Å), ratio 𝑐/𝑎 and internal parameters 𝑧_𝑀 for the superconducting MAX phases Ti₂InC and Ti₂InN.

Phase	𝑎	𝑐	𝑐/𝑎	𝑧𝑀	Reference
Ti2InC	3.1453	14.215	4.519	0.0780	Present
	3.1373	14.1812	4.520	0.0783	[15]
	3.14	14.17	4.51	0.0779	[19]
	3.1485	14.2071	4.512	0.0780	[20]
	3.084	13.906	4.508	0.0788	[22]
	3.135	14.182	4.524		[23]
	3.134	14.077	4.492		[11] ^Experimental data
	3.133	14.10	4.5		[14] ^Experimental data
Ti2InN	3.0956	14.063	4.543	0.07855	Present
	3.033	13.727	4.525	0.07908	[22]
	3.07	13.97	4.54		[13] ^Experimental data