Alloy Theory Laboratory

Data & Research Resources

Interactive datasets, downloadable research data, and reproducible computational resources from the group’s materials research.

Available datasets

Explore, search, and reuse

Each dataset page can provide an interactive viewer, direct download, citation information, and links to the associated publication and code.

Interactive dataset

MagMaster

Structural properties of binary magnesium compounds from large-scale density functional theory calculations and machine-learning integration.

Magnesium compoundsDFTMachine learning
Expandable collection

Future Research Datasets

This space is ready for alloy-design data, phonon calculations, interatomic-potential training sets, oxidation data, or other open research outputs.

New datasetsCodeReproducibility

Using the data

Citation and reuse

Please cite the associated publication or dataset record when using these resources. Dataset-specific citation information is included on each interactive page.

Questions, corrections, and collaboration inquiries related to the datasets are welcome.