Citation
If you use the Scandium Dataset in your research, please cite:
BibTeX
@software{scandium_dataset_v3,
title = {Scandium Dataset v0.0},
version = {0.0.0},
date = {2026-07-21},
publisher = {Scandium Labs},
doi = {pending},
url = {https://github.com/Scandium-Labs/Scandium-Dataset}
}
Individual Source Citations
When discussing entries from specific sources, also cite the original databases:
Materials Project
@article{jain2013commentary,
title = {Commentary: The Materials Project: A materials genome approach
to accelerating materials innovation},
author = {Jain, Anubhav and Ong, Shyue Ping and Hautier, Geoffroy and
Chen, Wei and Richards, William Davidson and Dacek, Stephen
and Cholia, Shreyas and Gunter, Dan and Skinner, David and
Ceder, Gerbrand and Persson, Kristin A},
journal = {APL Materials},
volume = {1},
number = {1},
pages = {011002},
year = {2013}
}
OQMD
@article{saal2013materials,
title = {Materials Design and Discovery with High-Throughput Density
Functional Theory: The Open Quantum Materials Database (OQMD)},
author = {Saal, James E and Kirklin, Scott and Aykol, Muratahan and
Meredig, Bryce and Wolverton, C},
journal = {JOM},
volume = {65},
number = {11},
pages = {1501--1509},
year = {2013}
}
JARVIS-DFT
@article{choudhary2020jarvis,
title = {The joint automated repository for various integrated simulations
(JARVIS) for data-driven materials design},
author = {Choudhary, Kamal and Garrity, Kevin F and Reid, Andrew CE and
DeCost, Brian and Biacchi, Adam J and Hight Walker, Angela R and
Trautt, Zachary and others},
journal = {npj Computational Materials},
volume = {6},
number = {1},
pages = {173},
year = {2020}
}
License Attribution
- MP entries: CC BY 4.0 — attribute "Materials Project"
- JARVIS entries: CC0 — no attribution required
- OQMD entries: Free for non-commercial use — attribute "OQMD"
- Scandium processing: CC BY 4.0 — attribute "Scandium Labs"