Namings for the building blocks (inorganic node, organic node, edge) reflect the CoRE MOF from which the building block was taken.
Data is from the Zenodo repository associated with this paper.
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For example, if you select acs as a net, only MOFs in our database with the acs net will appear in the dropdown at the bottom of the page.
If you select Cd as the metal, only MOFs in our database with Cd in them will appear in the dropdown.
We define an ultrastable MOF as one with a predicted solvent removal stability ≥ 0.5 and a predicted thermal stability ≥ 446℃.
Only ultrastable MOFs?
Type (number of distinct inorganic nodes, organic nodes, and edges)
Net
Metal
Inorganic node
Organic node
Edge
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MOF building blocks are visualized here.
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Initial structures (.CIF) are generated with PORMAKE.
Optimized structures (.CIF) are optimized with the UFF4MOF force field in LAMMPS.