PS_Usable_Hydrogen_Storage_Capacity_ML

URL: https://datahub.hymarc.org/dataset/c753c9ea-3bc6-44e1-8880-cfa6e41ce418/resource/eb1feaa7-8cef-4e4b-bdb2-c8fcdbb1760f/download/820k_mofs_crytal_props_ml_h2_ps_v17feb2021.csv

Machine learning (ML) model predicted usable gravimetric and volumetric hydrogen storage capacities of 820,000 MOFs at 77 K under a pressure swing between 100 and 5 bar. 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 PS = Usable Gravimetric Hydrogen Capacity at 77K for the pressure swing between 100 and 5 bar in units of weight percent • UV at PS = Usable Volumetric Hydrogen Capacity at 77K for the pressure swing between 100 and 5 bar in units of gram hydrogen per liter • CSFT = Crystal Structure File Type • CSA = Crystal Structure Availability

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Resource Metadata

data tool Multi-spectra
mimetype text/csv
size 175.5 MiB

Last updated February 24, 2021
Created February 24, 2021
Format text/csv
License No License Provided