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We design materials with theories, computations and data.

W Materials

First paper at IIT

11/23/2015

3 Comments

 
We recently collaborated with Prof. Philip Nash's group to investigate the formation enthalpies of a series of Ni2YZ Heusler compounds. This paper includes one of the most comprehensive experimental formation enthalpy data of the Ni2YZ Heusler family. The experimental data offer a rare opportunity to evaluate the DFT accuracy for these important compounds.
Please check out Prof Nash's website, which gives open access to a database of experimental formation enthalpies for tens of hundreds of compounds.
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Comparison between the measured enthalpies of formation and the DFT results from the OQMD.
3 Comments
Ankit
1/10/2016 01:01:35 pm

This was fast! Congrats.

Reply
Miao
2/16/2016 04:55:17 pm

Very nice!

Reply
Feng
3/6/2016 08:51:30 pm

This is great news. I just found this out now

Feng

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