| --- |
| 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> |
| |
| ## 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/ |
| |
