Defect analysis of Cd3P2 unit cell

Related libraries: AFLOW Symmetry Library (AFLOW-sym).

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Defect analysis of Cd3P2 unit cell

Postby jaiganesh » Wed Aug 16, 2017 2:44 am

Hi Sir,

Good Day!

I want to find the interstitial positions for Cd_3P_2 unit cell. I tried in online, but it is limited for 8 atoms per unit cell. Cd_3P_2 unit cell has 40 atoms. So, I could not succeeded. Can you help me in this regard?. Please find the attachments.

Thank you!
jaiganesh
 
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Joined: Sun Aug 13, 2017 11:42 pm

Re: Defect analysis of Cd3P2 unit cell

Postby coreyoses » Thu Sep 14, 2017 12:04 pm

Hi there,

We limit the AFLOW-online tool in this case because these calculations can become expensive. Please download the full AFLOW binary here for un-throttled functionality: http://materials.duke.edu/AFLOW/.
Corey Oses
AFLOW Developer
coreyoses
 
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