The exotically stoichiometric compounds in Al-S system under high pressure

作     者：Sen Shao Wenji Zhu Jian Lv Yanchao Wang Yue Chen Yanming Ma 

作者机构：State Key Laboratory of Superhard Materials&International Center for Computational Method and SoftwareJilin UniversityChangchun 130012China Department of Mechanical EngineeringThe University of Hong KongPokfulam RoadHong KongHong Kong SAR International Center of Future ScienceJilin UniversityChangchun 130012China 

出 版 物：《npj Computational Materials》 (计算材料学（英文）)

年 卷 期：2020年第6卷第1期

页      面：1565-1570页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 0805[工学-材料科学与工程（可授工学、理学学位）] 070303[理学-有机化学] 0703[理学-化学] 0701[理学-数学] 0801[工学-力学（可授工学、理学学位）] 0702[理学-物理学] 0812[工学-计算机科学与技术（可授工学、理学学位）] 

基　　金：The authors would like to acknowledge funding support received from the National Key Research and Development Program of China under Grant Nos.2016YFB0201200,2016YFB0201201,and 2016YFB0201204 the National Natural Science Foundation of China under Grant Nos.11822404,11974134,11774127,and 11534003 the Program for JLU Science and Technology Innovative Research Team(JLUSTIRT) the Science Challenge Project No.TZ2016001 

主　　题：materials system compounds 

摘      要：Aluminum and sulfur,as abundant elements in earth,only form Al_(2)S_(3) in nature at ambient *** has been realized that the stoichiometry of compounds may change under high pressure,which is crucial in the discovery of novel *** this work,we systematically perform structure search for Al-S system under pressure.