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danieleongari / CURATED-COFs

Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs
MIT License
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add COFs reported for C2-separation #41

Closed mpougin closed 1 year ago

mpougin commented 1 year ago

@danieleongari I added 6 new COFs that were reported experimentally for C2-separation applications. For the older structures that are not in the DB so far, I received the crystallographic information directly from the authors

mpougin commented 1 year ago

the uniqueness check seems to detect similar structure graphs for 16130N3 and 16132N3. 16130N3 is the metalated version, it contains additional Ni-atoms, I am not sure why the ci-check doesn't detect this difference

danieleongari commented 1 year ago

Hi, @kjappelbaum's graph can not detects small differences, but it is anyway great for a rough check. So, just add the pair in the whitelist https://github.com/danieleongari/CURATED-COFs/blob/6d512111f83ebc202bb2ef762899d95956dad1bc/.github/validate.py#L189-L205 and commit the change

thanks!

mpougin commented 1 year ago

great, thanks for the fast action @danieleongari