-
Notifications
You must be signed in to change notification settings - Fork 34
Open
Description
I use robocrys SiteAnalyzer method to determine the coordination environment of a site in the crystal as follows.
bonded_structure = y.get_bonded_structure(structure_from_cif)
motif_type = SiteAnalyzer(bonded_structure).get_site_geometry(0)
This method captures many environment types. However why the most common environment type, e.g. trigonal prism is not listed? As, the description of materials in materials project for MoS2 are reported as pentagonal pyramid, why no trigonal
prism?
Reactions are currently unavailable
Metadata
Metadata
Assignees
Labels
No labels