Published October 10, 2026
| Version v1
Dataset
Open
LPSs PBEsol dataset
Description
This dataset contains approximately 420,000 configurations of 12 lithium thiophosphate crystals and glass-ceramics. These were calculated at the PBEsol level with MDs mainly at 300 K
and 700 K.
Files
npy_set_PBEsol.zip
Additional details
Related works
- Is documented by
- Journal article: 10.1016/j.electacta.2026.149223 (DOI)
Dates
- Other
-
2026-10-10
Software
- Programming language
- NumPy