The Materials Application Programming Interface (API): A simple, flexible and efficient API for materials data based on REpresentational State Transfer (REST) principles

被引:339
作者
Ong, Shyue Ping [1 ]
Cholia, Shreyas [2 ]
Jain, Anubhav [2 ]
Brafman, Miriam [2 ]
Gunter, Dan [2 ]
Ceder, Gerbrand [3 ]
Persson, Kristin A. [2 ]
机构
[1] Univ Calif San Diego, Dept NanoEngn, La Jolla, CA 92093 USA
[2] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA
[3] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA
关键词
Materials Project; Application Programming Interface; High-throughput; Materials genome; Rest; Representational state transfer; CATHODES; !text type='PYTHON']PYTHON[!/text; ION;
D O I
10.1016/j.commatsci.2014.10.037
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
In this paper, we describe the Materials Application Programming Interface (API), a simple, flexible and efficient interface to programmatically query and interact with the Materials Project database based on the REpresentational State Transfer (REST) pattern for the web. Since its creation in Aug 2012, the Materials API has been the Materials Project's de facto platform for data access, supporting not only the Materials Project's many collaborative efforts but also enabling new applications and analyses. We will highlight some of these analyses enabled by the Materials API, particularly those requiring consolidation of data on a large number of materials, such as data mining of structural and property trends, and generation of phase diagrams. We will conclude with a discussion of the role of the API in building a community that is developing novel applications and analyses based on Materials Project data. (C) 2014 Elsevier B.V. All rights reserved.
引用
收藏
页码:209 / 215
页数:7
相关论文
共 36 条
[1]  
[Anonymous], 2012, MRS BULL
[2]   The GW method [J].
Aryasetiawan, F ;
Gunnarsson, O .
REPORTS ON PROGRESS IN PHYSICS, 1998, 61 (03) :237-312
[3]   THE PERILS OF CC - COMPARING THE FREQUENCIES OF FALSELY ASSIGNED SPACE-GROUPS WITH THEIR GENERAL-POPULATION [J].
BAUR, WH ;
KASSNER, D .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1992, 48 :356-369
[4]   THE INORGANIC CRYSTAL-STRUCTURE DATA-BASE [J].
BERGERHOFF, G ;
HUNDT, R ;
SIEVERS, R ;
BROWN, ID .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1983, 23 (02) :66-69
[5]  
Castelli I. E., 2014, SUBMISS
[6]   Computational screening of perovskite metal oxides for optimal solar light capture [J].
Castelli, Ivano E. ;
Olsen, Thomas ;
Datta, Soumendu ;
Landis, David D. ;
Dahl, Soren ;
Thygesen, Kristian S. ;
Jacobsen, Karsten W. .
ENERGY & ENVIRONMENTAL SCIENCE, 2012, 5 (02) :5814-5819
[7]  
Ceder G, 2013, SCI AM, V309, P34
[8]   AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations [J].
Curtarolo, Stefano ;
Setyawan, Wahyu ;
Wang, Shidong ;
Xue, Junkai ;
Yang, Kesong ;
Taylor, Richard H. ;
Nelson, Lance J. ;
Hart, Gus L. W. ;
Sanvito, Stefano ;
Buongiorno-Nardelli, Marco ;
Mingo, Natalio ;
Levy, Ohad .
COMPUTATIONAL MATERIALS SCIENCE, 2012, 58 :227-235
[9]  
Fielding RT., 2002, ACM Transactions on Internet Technology (TOIT), V2, P115, DOI [10.1145/514183.514185, DOI 10.1145/337180.337228]
[10]  
Frisch M. J., GAUSSIAN 03 REVISION