. 2022 Jun 9;7(24):20914–20926. doi: 10.1021/acsomega.2c01630

Table 2. The Calculated Lattice Constant, a, Volume, V, and Formation Energy ΔE_f of AVO₃ Compounds Together with Available Experimental Results.

compounds	a (Å)	V (Å³)	ΔE_f (eV/atom)	refs.
BaVO₃	3.927	60.547	–7.601	present calc.
	3.943(3)			(12)
SrVO₃	3.830	56.185	–7.626	present calc.
	3.843(1)			(13)
CaVO₃	3.774	53.752	–7.635	present calc.
CaVO_3−δ	3.786(3)			(14)
MgVO₃	3.741	52.358	–6.986	present calc.

Table 2. The Calculated Lattice Constant, a, Volume, V, and Formation Energy ΔEf of AVO3 Compounds Together with Available Experimental Results.