H-containing FCC Fe-Ni-Cr alloys dataset
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资源简介：
This dataset contains multiple files of both DFT calculations using the VASP package and CE-MC simulations using the CLAMM package: DFT_raw_data: DFT dataset for high-N alloys generated using VASP. CE_fitting: Trained CE models generated using CLAMM_Fit. MC_simulation: The output from MC simulations using CLAMM_MC.
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Zenodo创建时间：
2025-08-30
