CORC

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CORC

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Active-learning search for unitcell structures: A case study on Mg3Bi2-xSbx 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 226, 页码: 112260
作者:  Peng Q(彭庆);  Yuan XZ(袁晓泽);  Zhao S(赵帅);  Zhou, Yuwei;  Wen, Xiaodong
收藏  |  浏览/下载：10/0  |  提交时间：2023/07/17
Vacancy ordered phases of nonstoichiometric hafnium carbide from evolutionary crystal structure predictions 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2022, 卷号: 891
作者:  Kostenko, Maxim G.;  Li, Jingyu;  Zeng, Zhi;  Zhang, Yongsheng;  Sharf, Sergey V.
收藏  |  浏览/下载：105/0  |  提交时间：2021/11/15
Toward the Rational Design of Mid-Infrared Nonlinear Optical Materials with Targeted Properties via a Multi-Level Data-Driven Approach 期刊论文
ADVANCED FUNCTIONAL MATERIALS, 2022, 卷号: 32, 期号: 23, 页码: 1-9
作者:  Cai, WB (Cai, Wenbing) [1];  Abudurusuli, A (Abudurusuli, Ailijiang) [1] , [2];  Xie, CW (Xie, Congwei) [1];  Tikhonov, E (Tikhonov, Evgenii) [1];  Li, JJ (Li, Junjie) [1] , [2]
收藏  |  浏览/下载：24/0  |  提交时间：2022/06/21
Prediction of Novel van der Waals Boron Oxides with Superior Deep-Ultraviolet Nonlinear Optical Performance 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2021, 卷号: 60, 期号: 19, 页码: 10791-10797
作者:  Li, H (Li, Hao)[ 1,2,3 ];  Min, JM (Min, Jingmei)[ 1 ];  Yang, ZH (Yang, Zhihua)[ 1,2 ];  Wang, ZH (Wang, Zhenhai)[ 3,4 ];  Pan, SL (Pan, Shilie)[ 1,2 ]
收藏  |  浏览/下载：81/0  |  提交时间：2021/05/06
Structural phase transitions and superconductivity of YC2 from first-principles calculations 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 159, 页码: 120
作者:  Xue, Junling;  Guo, Yongliang;  Liu, Changdong;  Sun, Xinjun;  Qiu, Wujie
收藏  |  浏览/下载：50/0  |  提交时间：2019/12/26
Structural phase transitions and superconductivity of YC2 from first-principles calculations 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 159, 页码: 120-126
作者:  Xue, Junling[1];  Guo, Yongliang[2];  Liu, Changdong[3];  Sun, Xinjun[4];  Qiu, Wujie[5]
收藏  |  浏览/下载：18/0  |  提交时间：2019/04/22
Topochemical Path in High Lithiation of MoS2 期刊论文
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 2019, 卷号: 645, 页码: 309-316
作者:  Caputo, Riccarda[1];  Tekin, Adem[2];  Nesper, Reinhard[3]
收藏  |  浏览/下载：7/0  |  提交时间：2019/04/22
Can lithium form phases with molybdenum? 期刊论文
JOURNAL OF SOLID STATE CHEMISTRY, 2019, 卷号: 271, 页码: 230-238
作者:  Caputo, Riccarda[1];  Tekin, Adem[2]
收藏  |  浏览/下载：8/0  |  提交时间：2019/04/22
Chemical optimization towards superior electrocatalysis of Janus 1T-MoSX (X = O, Se, Te) for hydrogen evolution: Small composition tuning makes big difference 期刊论文
ELECTROCHIMICA ACTA, 2019, 卷号: 310, 页码: 153-161
作者:  Hao, Yu;  Xu, Li-Chun;  Yang, Zhi;  Liu, Rui-Ping;  Li, Xiu-Yan
收藏  |  浏览/下载：34/0  |  提交时间：2019/12/18
Atomic-scale observation and analysis of chemical ordering in M3B2 and M5B3 borides 期刊论文
ACTA MATERIALIA, 2018, 卷号: 149, 页码: 274-284
作者:  Hu, XB;  Niu, HY;  Ma, XL;  Oganov, AR;  Fisher, CAJ
收藏  |  浏览/下载：35/0  |  提交时间：2018/06/05

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