Table 5. Mulliken Atomic Population Analysis of AVO₃ Compounds.

		Mulliken atomic population
compounds	species	s	p	d	total	charge (e)	spin (hbar/2)	net magnetic moment (μB)
	Ba	2.00	5.97	0.76	8.73	1.27	–0.03
BaVO3	V	2.32	6.68	3.24	12.24	0.76	1.41	0.99
	O	1.84	4.84	0.00	6.68	–0.68	–0.13
	Sr	2.02	5.99	0.66	8.67	1.33	–0.03
SrVO3	V	2.31	6.69	3.26	12.27	0.73	1.31	1.01
	O	1.83	4.86	0.00	6.69	–0.69	–0.09
	Ca	2.04	5.99	0.53	8.57	1.43	–0.02
CaVO3	V	2.30	6.73	3.28	12.31	0.69	1.26	1.00
	O	1.83	4.88	0.00	6.71	–0.71	–0.08
	Mg	2.30	6.36	0.00	8.65	1.35	–0.02
MgVO3	V	2.30	6.66	3.28	12.24	0.76	1.25	0.99
	O	1.82	4.88	0.00	6.70	–0.70	–0.08