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Globally stable structures of Li_xZn(x=1-4)compounds at high pressures

文章来源：Phys. Chem. Chem. Phys. 18, 4437 (2016) 作者：Haixin Bi, Shoutao Zhang, Shubo Wei, Jianyun Wang,

Investigation of new phases in the Ba-Si phase diagram under high pressure using ab initio structural search

文章来源：Phys. Chem. Chem. Phys. 18, 8108 (2016) 作者：Jingming Shi, Wenwen Cui, Jose A. Flores-Livas, Al

Phase diagram and physical properties of iridium tetraboride from first principles

文章来源：Phys. Chem. Chem. Phys. 18, 12569 (2016) 作者：Xiaofeng Li, Haiyan Wang, Jian Lv and Zhongli Liu

Pressure-induced structural and valence transition in AgO

文章来源：Phys. Chem. Chem. Phys. 18, 15322 (2016) 作者：Chunju Hou, Jorge Botana, Xu Zhang, Xianlong Wang,

Probing the Low-Energy Structures of Aluminum-Magnesium Alloy Clusters: A Detailed Study

文章来源：Phys. Chem. Chem. Phys. 18, 26177 (2016) 作者：Xiaodong Xing, Jingjing Wang, Xiaoyu Kuang, Xinxin

A graphene-like Mg₃N₂ monolayer: high stability, desirable direct band gap and promising carrier mobility

文章来源：Phys. Chem. Chem. Phys. 18,30379 (2016) 作者：Pengfei Liu, Liujiang Zhou, Thomas Frauenheim and

New insight into the structural evolution of PbTiO3: An unbiased structure search

文章来源：Phys. Chem. Chem. Phys. 19,1420 (2016) 作者：Cheng Lu, Jing jing Wang, Ping Wang, Xinxin Xia, Y

Crystal structures and superconductivity of technetium hydrides under pressure

文章来源：Phys. Chem. Chem. Phys. 19,28791 (2016) 作者：Xiaofeng Li, Hanyu Liu and Feng Peng

Phase diagram and Superconductivity of Compressed Zirconium Hydrides

文章来源：Phys. Chem. Chem. Phys. 19,3538 (2016) 作者：Xiaofeng Li and Ziyu Hu

ψ-phosphorene: a new allotrope of phosphorene

文章来源：Phys. Chem. Chem. Phys. 19,2402 (2016) 作者：Haidi Wang, Xingxing Li, Zhao Liu and Jinlong Yang

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