MOF-金屬有機(jī)框架

1.?CoRE MOF Database

A compilation of 14,000 porous, three-dimensional metalorganicframework structures prepared to be directly usable in molecularsimulations or electronic structure calculations.

Link: http://gregchung.github.io/CoRE-MOFs/

2.?Cambridge Structural Database MOF Subset

A generation and characterization of a complete collection ofMOFs maintained and updated from the Cambridge Crystallographic Data Centre(CCDC).A number of MOF-identificationcriteria are employed to retrieve MOF structures. The database isregularly updated with subsequent MOF additions to the CSD.

Link: https://sites.google.com/view/csdmofsubset

3.?hMOF Database

A database of 137,953 hypothetical MOFs constructed from 102modular molecular building blocks (metal clusters and organiclinkers).

Link: https://mof.tech.northwestern.edu/databases

4.?ToBaCCo MOFs

A structurally diverse set of 13512 potential MOF structuresbased on 41 different topologies.

Link: https://github.com/tobacco-mofs/tobacco

5.?MOF nets

An overview/correlation matrix of MOFs and their respective netsby Frank Hoffmann.

Link: https://crystalsymmetry.wordpress.com/nets/mof-nets/

6.?Reticular Chemistry Structure Resource(RCSR)database

A database of polyhedra and 2-periodic and 3-periodic structures(nets) by Michael OKeeffe and coworkers.

Link: http://rcsr.anu.edu.au

7.?Woo and Smit database 324 426?個(gè)hMOF

Link:https://archive.materialscloud.org/record/2018.0016/v3

8.?Lan database 550 357個(gè)hMOF

Link:https://figshare.com/s/ec378d7315581e48f1e4

Reference：

[1]?Wilmer, C., Leaf, M., Lee, C.?et al.?Large-scale screening of hypothetical metal–organic frameworks.?Nature Chem?4, 83–89 (2012). https://doi.org/10.1038/nchem.1192

[2]?Boyd, P.G., Chidambaram, A., García-Díez, E.?et al.?Data-driven design of metal–organic frameworks for wet flue gas CO2?capture.?Nature?576, 253–256 (2019). https://doi.org/10.1038/s41586-019-1798-7

[3]?Lan?Y, Yan?T, Tong?M et al . Large-scale computational assembly of ionic liquid/MOF composites: synergistic effect in the wire-tube conformation for efficient CO2/CH4?separation. J. Mater. Chem. A, 2019,7, 12556-12564

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Zeolites--沸石

This database provides structural information on all of the zeolite framework types that have been approved by the IZA-SC

1.?IZA database

This database provides structural information on all of the zeoliteframework types that have been approved by the IZA-SC.

Link:?http://www.iza-structure.org/databases/

2.?Hypothetical zeolite database

Structures generated by M.W.Deem and co-workers.Link: http://www.hypotheticalzeolites.net/DATABASE/DEEM/index.phpHypothetical

3.??Zeolite database

The atlas of prospective zeolite structures by Martin D. Foster andMichael M.J.Treacy.

Link: http://www.hypotheticalzeolites.net

4.?Crystallography Open Database

Open-access collection of crystal structures of organic, inorganic.metal-organics compounds and minerals,excluding biopolymers

Link: http://www.crystallography.net/cod/

5.?American Mineralogist Crystal Structure Database (AMCSD)

Crystal structure database that includes every structure published in the American Mineralogist. The Canadian Mineralogist. European Journal of Mineralogy and Physics and Chemistry of Minerals. as well as selected datasets from other journals.

Link:http://rruff.geo.arizona.edu/AMS/amcsd.php/

6.?Hypothetical Zeolite database and AlPO database?(Jilin University,China)

A large set of hypothetical structures as synthetic candidates.

Link: http://mezeopor.jlu.edu.cn

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