TPS_Usable_Hydrogen_Storage_Capacity_ML

URL: https://datahub.hymarc.org/dataset/c753c9ea-3bc6-44e1-8880-cfa6e41ce418/resource/69330f0b-df52-46e8-bbe6-0441504cfa05/download/meta_data_for_820k_mofs_crytal_props_ml_h2_tps_v17feb2021.docx

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.

This resource view is not available at the moment. Click here for more information.

Download resource

Resource Metadata

data tool Multi-spectra
mimetype application/vnd.openxmlformats-officedocument.wordprocessingml.document
size 14.8 KiB

Last updated February 24, 2021
Created February 24, 2021
Format application/vnd.openxmlformats-officedocument.wordprocessingml.document
License No License Provided