First-principles investigations on structural stability, mechanical, and thermodynamic properties of LaT2Al20 (T = Ti, V, Cr, Nb, and Ta) intermetallic cage compounds*

Project supported by the Program for Ph. D Start-up Fund of Liaoning Province of China (Grant No. 201601161).

Quan Shanyu1, Zhang Xudong1, †, Liu Cong1, Jiang Wei1, 2
       

(color online) (a)–(f) The surface contours of the Young’s modulus for LaTi2Al20 (a), LaV2Al20 (b), LaCr2Al20 (c), LaNb2Al20 (d), LaTa2Al20 (e), and Al (f).