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.