Data for: Machine learning potentials for hydrogen absorption in TiCr2 Laves ...

This dataset supports the development and validation of machine learning interatomic potentials (MLIPs) for modeling hydrogen absorption in C14 (hexagonal) and C15 (cubic)...本数据集可用于支撑面向C14（六方晶系）与C15（立方晶系）中氢吸附过程建模的机器学习原子间势（MLIPs）的开发与验证工作。