phonix-db/phonix-full

---
pretty_name: Phonix Database

arxiv:
- arXiv:2504.21245

tags:
- materials
- phonon
- thermal-conductivity

license: cc-by-4.0
---

# Phonix: Database for Anharmonic Phonon Interactions

## About

Phonix is a first-principles database of anharmonic phonon interactions.

Phonix v2026.03.28 targets approximately 20,000 inorganic, non-metallic, and
non-magnetic compounds drawn from the Materials Project (v2022.10.28) and Phonondb (v2018-04-07),
including thermal conductivity data for over 6,800 materials.

The database was generated using the automated workflow software
[auto-kappa](https://masato1122.github.io/auto-kappa "auto-kappa")
([GitHub](https://github.com/masato1122/auto-kappa "github")),
which integrates VASP and ALAMODE for first-principles
anharmonic phonon calculations.

## Links

- Phonix Website: <https://phonix-db.org>
- Auto-kappa GitHub: <https://github.com/masato1122/auto-kappa>
- Auto-kappa Documentation: <https://masato1122.github.io/auto-kappa/>
- phonon_e3nn: <https://github.com/masato1122/phonon_e3nn/tree/develop>

## Citation

If you use Phonix, please cite:

Masato Ohnishi, Tianqi Deng, Pol Torres, Zhihao Xu, Terumasa Tadano,
Haoming Zhang, Wei Nong, Masatoshi Hanai, Zeyu Wang, Michimasa Morita,
Zhiting Tian, Ming Hu, Xiulin Ruan, Ryo Yoshida, Toyotaro Suzumura,
Lucas Lindsay, Alan J. H. McGaughey,
Tengfei Luo, Kedar Hippalgaonkar, and Junichiro Shiomi,
"Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations",
*npj Computational Materials* (2026). [arXiv:2504.21245](https://arxiv.org/abs/2504.21245 "arxiv")

## License

This database is licensed under Creative Commons Attribution 4.0 International (CC BY 4.0).
See: https://creativecommons.org/licenses/by/4.0/