遇见数据集

Raw data for "One-defect one-potential strategy for accurate machine learning prediction of phonons in defect-containing supercells"

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Zenodo2025-11-22 更新2026-05-26 收录
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资源简介:

There are four sets of data, each containing training sets (rattled structures of carbon impurity in GaN supercell), input file of Allegro, and predicted phonon properties (qpoints.yaml).

提供机构:
Zenodo
创建时间:
2025-11-22
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