Phase Stability and Site Preference of Tb-Fe-Co-V Compounds

Table 2

Comparison of calculated and experimental unit cell parameters.

	𝑥=0	𝑥=0.1	𝑥=0.2	𝑥=0.3	𝑥=0.4
	Tb3Fe27.4V1.6	Tb3Fe27.3Co0.1V1.6	Tb3Fe27.2Co0.2V1.6	Tb3Fe27.1Co0.3V1.6	Tb3Fe27.0Co0.4V1.6
𝑎 (Å)
Cal.	10.5433	10.5424	10.5418	10.5411	10.5406
Exp.	10.557 (1)	10.545 (1)	10.537 (1)	10.519 (1)	10.511 (1)
Err. (%)	−0.1298	−0.0247	0.2168	0.2101	0.2816
𝑏 (Å)
Cal.	8.4647	8.4647	8.4643	8.4638	8.4635
Exp.	8.497 (1)	8.496 (1)	8.490 (1)	8.476 (1)	8.461 (1)
Err. (%)	−0.3801	−0.3684	−0.3027	−0.1439	0.0295
𝑐 (Å)
Cal.	9.7196	9.7189	9.7185	9.7181	9.7176
Exp.	9.669 (1)	9.672 (1)	9.669 (1)	9.658 (1)	9.645 (1)
Err. (%)	0.5233	0.4849	0.5119	0.6223	0.7527
𝛽 (deg)
Cal.	97.0681	97.0703	97.0698	97.0690	97.0691
Exp.	96.89	96.72	96.72	96.71	96.74
Err. (%)	0.18	0.31	0.3617	0.3712	0.3402