Can we build a naotube by Pymatgen?

pymatgen
1

Hi all, can we build a nanotube from a 2D monolayer material by Pymatgen? I need to build a bunch of nanotubes automatically.

2

Not directly, but you can convert the pymatgen structure to an ASE atoms object (using pymatgen.io.AseAtomsAdaptor), and use ASE’s nanotube builder.

4

Thank you so much, Aaron! I will try it.

5

Hi Aaron, can I use ASE build a nanotube from a three-layer 2D material, like MoS₂? I failed to do this with ASE; I don’t know if there is something neglected.

6

Try posting to the ASE sub-forum on matsci, they can give you better guidance!

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