Yes OQMD looks interesting, and should absolutely be linked in TCOD for the benefit of both

daniel

Le 09/08/2014 14:00, tcod-request@lists.crystallography.net a écrit :

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Today's Topics:

1. The OQMD (Saulius Gra?ulis)

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Message: 1 Date: Sat, 09 Aug 2014 07:30:47 -0400 From: Saulius Gra?ulis grazulis@ibt.lt To: tcod@lists.crystallography.net Subject: [TCOD] The OQMD Message-ID: 53E60667.7040301@ibt.lt Content-Type: text/plain; charset=utf-8; format=flowed

Hi, folks,

a day ago I have listened to the talk about the OQMD database:

http://oqmd.org/

Well, actually, Stefaan mentioned it in his excellent review e-mail (2013-09-06 12:02) on this list, but that time there was apparently no public access to the DB. Now there is :).

The DB is very mature and is completely open -- so good to look at and tp collaborate with. I got in touch with Chris Wolverton, and we will discuss over the e-mail how to get the TCOD and OQMD cooperating nicely (unfortunately, Chris had to leave the conference early, so we could not speak in person).

The TCOD's role in this situation could be to present computations in a standardized, CIF format from various groups. In this sense TCOD could be a useful complement for the computation-first databases, and would provide means to search and analyze computation results made by various groups and researchers (which is the primary TCOD intent). In any case, the OCMD data should be represented and referenced to in TCOD as well, what do you think?

Have a look, and stay tuned -- and your thoughts are welcome.

Regards, Saulius