Trajectories used in: Unsupervised Density-Based Method for Analyzing Ion Mobility in Crystalline Solid-State Electrolytes
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The datasets include CMD trajectories for the tetragonal and cubic LLZO systems (from LAMMPS), as well as AIMD trajectories for LGPS and both ordered and disordered LPSB systems (from VASP), all used in the evaluation of CrySF.
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Zenodo创建时间：
2025-08-20
