Published March 25, 2025
| Version v1
Dataset
Open
Screening of material defects using universal machine-learning interatomic potentials
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1.
University of Oulu
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2.
Chalmers University of Technology
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3.
University of Jyväskylä
Description
This repository presents the two databases presented in the article "Screening of material defects using universal machine-learning interatomic potentials". It contains :
- README.txt : Text file containing the instruction on how to use the databases.
- Vacancies.db/Vacancies.json : Database containing the vacancy formation energies for all 86,259 materials.
- 2D_layers.db/2D_layers.json : Database containing the structures of the 8,017 layers obtained from chemical etching.
Files
2D_layers.json
Files
(2.8 GB)
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