Dear Saurav,

It will be easier if you construct each of the GaAs and GaN monolayers individually. Then, concatenate them together with considering a distance between two monolayers by adding a constant value to the coordinates of the second monolayer.

On the website Materials Project, you can find the CIF file for both intended monolayers. Also, it provides open web-based access to many crystal structures of materials.

https://materialsproject.org/

Thanks for your answer Mohammad Ali Mohebpour . I will try it.

Thanks for sharing

good question

Hello, Saurav Lahiri.

We service a useful tool on the web. You can use 3D structure builder on our website in free.

https://www.materialssquare.com/

Recently, we uploaded an instruction video for making GST, a kind of the heterostructure. It can be helpful.

https://youtu.be/m-1CU1OOqFs?list=PLfzL8bNVLOT4sSnGntB3WoHsri_Fdv4BG

Malg Eum Yu , The structure builder doesn't seem to be free. How can we access the tool? Any help?

Thanks

Hello, Hannah Jeniffer. The structure builder of Materials Square is free. You can use that after free registration.

Our billing policy is a pay-as-you-go system. It is applied only when the cloud server is opened by clicking the 'Start Job!' button to start a DFT/MD/Phase Diagram calculation. Other functions that do not use cloud supercomputing serverㅡsuch as modelingㅡare free.

So, after sign up & sign in, please go to the 'Work' page and make a new work. Then you can use the structure builder with no cost.

Thank you Malg Eum Yu , I will try it.