fwy52/nep-gamma-ga2o3: Data Release for gamma-Ga2O3
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Initial Data Release This release contains all input and output files for the neuroevolution potential (NEP) training and properties calculation of gamma-Ga2O3. Included Data NEP training files (input parameters and trained potential) Thermal conductivity calculations for Ga2, Ga3, Ga4 sites in [010], [100], [001] directions Phonon spectra calculations Structural files for gamma-Ga2O3 This dataset supports the findings in our manuscript submitted to Computational Materials Science.
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Zenodo创建时间:
2025-11-13



