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Materials Project
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Transforming Materials Research via Informatics
Transforming Materials Research via Informatics

130 followers
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Today, we pushed a major update to the Materials Project. This release brings significantly more data as well as new features to make it easier than ever for you to access that data and perform analyses. 

The new release has 30% more searchable materials (over 26,000) and 65% more intercalation electrodes (385 in total). We have also completely revamped the materials information page to improve the layout, as well as provide the ability for materials researchers to directly report issues and post comments and feedback on the data. We believe that by leveraging the expertise of materials researchers everywhere, we can greatly improve the reliability and accuracy of the data.

This release also marks the launch of the Materials Application Programming Interface (API). The Materials API is an open platform for accessing Materials Project data using REpresentational State Transfer (REST) principles. Using the Materials API, researchers can now programmatically query for materials data from the Materials Project and perform sophisticated analyses. To find out more, please check out the Materials API wiki at https://materialsproject.org/wiki/index.php/The_Materials_API.
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Just in time for the Gordon conference this week, the Materials Project team has updated the Lithium Battery Explorer to contain conversion battery data as well. There are well over 1700 conversion battery compounds in our database.
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The Materials Project is holding its first forum at the MRS Spring 2012. Come join us on Apr 9, 2012, 2-5pm at the Moscone West, Level 3, Room 3001 to learn more how you can best make use of the tools in the Materials Project in your research. Speakers include Professor Gerbrand Ceder from MIT and Professor Jens Norskov from Stanford University
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Have you been dreaming up new materials? The Materials Project is releasing the CrystalToolkit today. This new app allows any researcher to transform existing structures into new structures. You can start from either computed structures in the Materials Project or upload your own structures for editing. Supported transformations include substituting one element for another, removing atoms from a structure, and generating supercells. Download your new structure as vasp input files or cifs. Let us know what you think!
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I am pleased to unveil a massive update to the Phase Diagram App today. Grand canonical phase diagrams are now easier than ever to generate and interpret, and instead of showing the projection at a single chemical potential, you can now look at the complete phase evolution as a function of all relevant chemical potentials!

For example, one of the inspiration for this work is my previous paper on the Li-Fe-P-O phase diagram (Chem Mater, 2008). With the new PDApp, you can now do all the analysis that was in that paper in a matter of minutes, when it previously took me SIX months!

So hop on over and give the new PDApp a try. Just to test out what it can do, you can simply type Li Fe P O in the elements field, select O as the Open element, and click generate. For some particularly cool effects, check the "Show Labels" and "Show Unstable" checkboxes and play with the slider.

I hope you find the updated App useful, and keep those feedback coming in!

Shyue Ping
Developer
Materials Project
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The Materials Project now has its own Google+ page. Add us to your circles to receive exciting news and updates! We look forward to connecting with you.
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