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materialscloud-org / discover-curated-cofs

Materials Cloud DISCOVER section for CURATED COFs database
https://www.materialscloud.org/discover/curated-cofs
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Improve the tab in the select-figure section #18

Closed danieleongari closed 4 years ago

danieleongari commented 5 years ago

Currently, we mark as N/A structures that contains counterions (i.e., "C") and the ones that failed the DFT calculation. image However, we could at least upload consistently a CifData/StructureData for the Original Structure and have a node to link in the table.

Also, we mark as N/A CCS workflows for structures that are non-porous since some of the results (e.g., the final PE) are not available. Since this link lands on the details page that contains info on the structure optimization, we may wonder if to design that section better to be able to show also results for non-porous structures.

danieleongari commented 4 years ago

No need for further improvements