In this video I walk you through the process of creating a 5x5 supercell of the Graphene monolayer using VESTA.
I start by downloading the graphite material's CIF file from the materials project database.
Next, I visualize the Graphite CIF using VESTA and discuss the visualization artefacts and why does it show all those extra atoms, even there should be fewer atoms according to the CIF file.
I show a way how to get rid of those extra spurious atoms being visualized.
Next, I show how to remove one layer of the Graphite material to get the Graphene monolayer.
I also show how to increase vacuum and discuss its need.
Finally, I show how to create its supercell and export it as POSCAR or CIF file.
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Useful Links:
📃Link for Graphite CIF File: next-gen.materialsproject.org/materials/mp-48
www.bragitoff.com/wp-content/uploads/2024/12/C_Gra…
🔗Understanding the CIF File: • TUTORIAL on How to Read a .CIF File
🔗POSCAR for 5x5 supercell of graphene monolayer www.bragitoff.com/wp-content/uploads/2024/12/graph…
🔗CIF for 5x5 supercell of graphene monolayer www.bragitoff.com/wp-content/uploads/2024/12/graph…
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More tutorials on VESTA
👉 YouTube Video on how to pack a surface with molecules:
• How to pack a unit cell (hBN monolayer) wi...
👉 YouTube videos on how to place adsorbates on a surface:
• How to place an Adsorbate (water) Molecule...
• How to Place a Water Molecule on Graphene ...
👉 Playlist
• Downloading and Installing VESTA [TUTORIAL...
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Connect with Me:
💻Website: manas.bragitoff.com/
LinkedIn: www.linkedin.com/in/manassharma07/
Twitter: x.com/ManasSharma07
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