. 2019 Dec 30;5(1):864–870. doi: 10.1021/acsomega.9b03779

Table 1. Optimized Lattice Constants with the AFM Order (a₀), Bond Lengths between the Transition Metal and N Atoms (d_V–N and d_Ti/Cr–N), Total and Atomic Magnetic Moments (M_tot, M_V, and M_V/Ti/Cr), and Energy Differences between FM and AFM (E_FM – E_AFM).

	a₀ (Å)	d_V–N (Å)	d_Ti/Cr–N (Å)	M_tot (μ_B)	M_V (μ_B)	M_V/Ti/Cr (μ_B)	E_FM – E_AFM (meV)
V₂N	3.193	2.141		0	–2.63	2.63	398
TiVN	3.071	2.167	2.097	–1.97	–2.73	0.97	205
CrVN	3.116	2.225	2.015	0.28	–2.81	3.45	398

Table 1. Optimized Lattice Constants with the AFM Order (a0), Bond Lengths between the Transition Metal and N Atoms (dV–N and dTi/Cr–N), Total and Atomic Magnetic Moments (Mtot, MV, and MV/Ti/Cr), and Energy Differences between FM and AFM (EFM – EAFM).