[Cod-bugs] Filtering structures with/without disorder

Fx COUDERT fx.coudert at chimieparistech.psl.eu
Fri Oct 18 21:38:12 EEST 2024


Hi,

In my research, I am currently working on identifying bonding characteristics and topology of inorganic materials, through a topology identification code developed in my group (https://progs.coudert.name/topology). I would like to apply this to the COD database, or rather, to begin with, to a well-defined subset which would be:

- inorganic structures
- with no disorder

I have been wondering: in the COD display page for individual structures, you have a flag for “is the structure disordered”. So presumably, you store this information somewhere. However, I cannot find a way to query for that, either through the API or even the web interface.

Would you be able to help me with this? Do you know how this could be achieved? I am available to discuss this project more if you are interested, of course.


Best regards,

-- 
Dr. François-Xavier Coudert
Senior Researcher / Directeur de Recherche CNRS at Chimie ParisTech
Professeur attaché ENS / PSL University
Webpage: https://www.coudert.name/


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