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JARVIS-DFT database
The JARVIS-DFT database is a collection of density functional theory (DFT) data for various materials. -
AFLOW Online Repositories
The AFLOW Online Repositories contain information about materials properties, including electronic structure and phonon energies, calculated using density functional theory. -
Open Catalyst 2020 (OC20) dataset
The Open Catalyst 2020 (OC20) dataset is a large-scale dataset for simulating catalyst materials. -
RADAR (Research Data Repository)
Imported
Experimental data and optimised coordinates to the publication geometrical be...
Object: Experimental and DFT optimised coordinates were deposited.
