Table 1. Bulk Properties of AFM UO₂, NM PuO₂, and AFM PuO₂ from Experiments (Experimental Values for UO₂ from refs (32, 34, 42, 43), Experimental Values for PuO₂ from refs (34, 48))^a.

	AFM UO2		NM PuO2		AFM PuO2
	expt.	cal.	expt.	cal.	cal.
lattice parameter (Å)	5.470–5.473	5.479	5.393–5.398	5.394	5.390
magnetic moment (μB)	1.74	1.88	0	0	3.72
band gap (eV)	2.0–2.5	2.0	1.8–4.1	1.56	0.9

^aData obtained with PBESol + U + OMC (U = 4.0 eV for AFM UO₂ and AFM PuO₂, 4.5 eV for NM PuO₂). The equivalent PBE data can be found in Table S3.