I wanted to do some work involving the treatement of crystals as simplical complexes. I was curious if there was a part of pymatgen that allowed the extraction of the simplicies within a unit cell in the same way distances can be?

Hi Michael_Moran,

Thanks for your question. Unfortunately there is no inbuilt method to do this. One thing you may want to try is collecting the coordinates of the atoms using the `coords`

parameter of the pymatgen Structure object and calculating the area of the triangle formed by 3 atoms (Triangle - Wikipedia) or the volume given by the tetrahedron formed by 4 atoms (Tetrahedron - Wikipedia).