Structural stability and electronic structural properties of type-Ⅷ Ba8Ga16-xAlxSn30 (x=0, 6, 16) clathrates from first-principles calculations
SHEN Lanxian, LI Decong, SHEN Kaiyuan, ZHENG Jie, LIU Zuming, GE Wen, DENG Shukang
Journal of Functional Materials . 2021, (3): 3194 -3199 .  DOI: 10.3969/j.issn.1001-9731.2021.03.030