Machine learning (ML) model predicted usable gravimetric and volumetric hydrogen storage capacities of 820,000 MOFs for the temperature + pressure swing between 100bar/77K and 5bar/160K. 7 input crystallographic features used for ML predictions are also given. ML models used for the predictions can be accessible via https://sorbent-ml.hymarc.org/.
Header terms: • CSD refc. = CSD Refcode • DB Acr. = Database Acronym • GT = Generic Identity • Calc. Type = Calculation Type • Density = Density in units of gram per cubic centimeter • GSA = Gravimetric Surface Area in units of square meter per gram • VSA = Volumetric Surface Area in units of square meter per cubic centimeter • VF = Void Fraction • PV = Pore Volume in units of cubic centimeter per gram • LCD = Largest Cavity Diameter in units of Angstrom • PLD = Pore Limiting Diameter in units of Angstrom • UG at TPS = Usable Gravimetric Hydrogen Capacity for the temperature+pressure swing between 100bar/77K and 5bar/160K in units of weight percent • UV at TPS = Usable Volumetric Hydrogen Capacity for the temperature+pressure swing between 100bar/77K and 5bar/160K in units of gram hydrogen per liter • CSFT = Crystal Structure File Type • CSA = Crystal Structure Availability The Data Explorer view lets you explore these data using a grid, you can filter the data, create graphs using any of the columns in the file.
|Last updated||February 24, 2021|
|Created||February 24, 2021|
|License||No License Provided|