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Author Topic: How to create penta-graphene structure by using crystal builder tool in ATK  (Read 2120 times)

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Offline nguyenkhanh

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How to create penta-graphene structure by using crystal builder tool in ATK
« on: September 18, 2017, 19:28 »
Dear ATK officer,

I am Khanh, a user of ATK. Recently, I have a trouble to create a penta-graphene structure with the crystal builder tool since the crystal builder tool doesn't have a penta-space group. 

Could you please show a tutorial how to create a penta-graphene?

Thank you so much for reading!

Best wishes,
Khanh
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Offline Jess Wellendorff

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Re: How to create penta-graphene structure by using crystal builder tool in ATK
« Reply #1 on: September 19, 2017, 09:29 »
Dear Khanh,
please find attached files. I first built the T12 crystal using the VNL Crystal Builder and data from the Supporting Information of http://www.pnas.org/content/112/8/2372.full.pdf, then I built the 2D sheet by removing a few of the top and bottom C atoms.
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