[Cod-bugs] Programmatic Access to COD Data for Acentric Structures

Jia, Qiming qiming.jia.24 at ucl.ac.uk
Thu May 29 16:25:14 EEST 2025


Dear COD Team,
I’m a research student currently working on a project that requires downloading and processing crystallographic data from the COD, specifically focusing on non-centrosymmetric (acentric) structures for machine learning purposes.
While trying to automate the search using search.php, I encountered difficulties—my script expected JSON responses, but it seems this endpoint is not designed for API use. I’ve explored the documentation but couldn’t find a confirmed method to programmatically filter or retrieve structures based on space groups or symmetry properties.
Could you please advise if there is an officially supported way to access COD data programmatically for such purposes? Alternatively, is there a mirror or index file that you recommend for offline filtering of CIF files?
Any guidance or sample script would be greatly appreciated.
Best regards,
Jason



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