Having some trouble trying to display polyhedra

[Juozas Miškinis]

Hi!

Thank you for creating Beautiful Atoms. I've been having some trouble trying to display polyhedra correctly.

Take this struture as an example: https://next-gen.materialsproject.org/materials/mp-22704?formula=YIn (make sure "Draw repeats of atoms on periodic boundaries" and "Draw atoms outside unit cell bonded to atoms within unit cell" are enabled in the settings).

I can successfully recreate the structure (see the attached no_poly.png image) but not the polyhedra displayed at the very center (see the remaining two attached images). Could you please provide some instructions on how to achieve the result shown in materialsproject.org viewer?

P.S. To achieve the desired structure, I load the cif file, set cryst.boundary = 1, add a bond Y-In with a value of 3.26 and draw the bonds.

[Xing Wang]

Hi,

Thanks for sharing your use case here. I just fixed a bug in Polyhedra, please update the batoms, https://beautiful-atoms.readthedocs.io/en/latest/getting_started/installing/update.html#update

I have attached a Python script to draw a structure similar to the Materials Project; please try it.

Best,

Xing