colabfit/GST_GAP_22_main
收藏Hugging Face2025-04-01 更新2025-04-12 收录
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https://hf-mirror.com/datasets/colabfit/GST_GAP_22_main
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资源简介：
GST GAP 22主数据集是一个用于训练机器学习原子间势能模型的训练数据集，包含了在PBEsol功能下计算的准二元GeTe-Sb2Te3 (GST)化学成分的相变材料配置。该数据集被用于模拟在实际设备条件下的锗-锑-碲组成范围。
The GST GAP 22 main dataset is a training dataset for a machine learning interatomic potential model, containing configurations of phase-change materials on the quasi-binary GeTe-Sb2Te3 (GST) line of chemical compositions calculated using the PBEsol functional. The dataset is used to simulate a range of germanium-antimony-tellurium compositions under realistic device conditions.
提供机构：
colabfit
