[Cod-bugs] How to Tell if a Structure is Theoretical?

Andrius Merkys andrius.merkys at gmail.com
Tue Feb 11 09:37:16 EET 2025


On 2025-02-10 20:30, Dana O'Connor wrote:
> I'm trying to assemble a database of theoretical (i.e. unsynthesized 
> structures) with some contributions from the COD. I wasn't sure how to 
> tell if a structure was theoretical or was an "actual" crystal structure?

By the way, the COD has a "sister" database for theoretical structures, 
TCOD: https://www.crystallography.net/tcod/

Best,
Andrius

-- 
Andrius Merkys
Vilnius University Institute of Biotechnology, Saulėtekio al. 7
LT-10257 Vilnius, Lithuania

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