First-Principles Calculations for Stable β-Ti-Mo Alloys Using Cluster-Plus-Glue-Atom Model

Fushi Jiang, Chang Pang, Zhaoyang Zheng, Qing Wang, Jijun Zhao, Chuang Dong

Table 1 1st, 2nd and 3rd nearest neighbors of the central Mo atoms or Ti atoms in the configurations a, b, and c

Central atom	Shell atom	Numbers	Radial distances (nm)
Mo^a	Ti	8	0.245-0.269
	Ti	6	0.325-0.326
	Mo	2	0.438
	Ti	10	0.442-0.450
Mo^b	Ti	8	0.253-0.277
	Ti	6	0.323-0.327
	Ti	12	0.433-0.456
Ti^b	Mo	2	0.271
	Ti	6	0.276-0.289
	Ti	6	0.294-0.324
	Ti	12	0.433-0.463
Mo^c	Ti	6	0.257-0.262
	Mo	2	0.280
	Ti	6	0.319-0.321
	Ti	12	0.433-0.442
Ti^c₁	Mo	1	0.258
	Ti	7	0.260-0.286
	Ti	6	0.289-0.360
	Ti	10	0.404-0.482
	Mo	2	0.433-0.438
Ti^c₂	Ti	8	0.260-0.281
	Ti	6	0.320-0.328
	Ti	10	0.437-0.445
	Mo	2	0.441