Published March 4, 2025
| Version v2
Dataset
Open
MOFChecker: An algorithm for Validating and Correcting Metal-Organic Framework (MOF) Structures
Authors/Creators
Description
This dataset includes the checking results of several MOF database using MOFChecker. We also provide some fixed MOF structures using MOFChecker. In addition, we provide the DFT optimized structures of some DAC MOF and the CO2 & H2O binding energy of them.
Files
Files
(2.6 MB)
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md5:80c2c6c40077ad3d29344e181a900a70
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md5:c84475dc537b9710ea70c21a4688e309
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242.3 kB | Download |
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md5:e903b7b914d0f6b73299d963c18b0f6c
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md5:2be69c93d62c742a9eccc454815eae68
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596.5 kB | Download |
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md5:c470de2d901a26c9e93edfd3263eb796
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476.5 kB | Download |
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md5:a7fe7f4b2f579c198c327ff4beff7394
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270.9 kB | Download |
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md5:8318cfc9f16045b5b2ce4205ea3f08cd
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225.8 kB | Download |