Detail

Ordering and structural transformations in layered KxCrO2 for K-ion batteries

Kaufman, Jonas L.; Van der Ven, Anton

Year

2020

Source Name

kaufman_ordering_structural_batteries

Contacts

Jonas L. Kaufman (jlk@ucsb.edu) Anton Van der Ven (avdv@ucsb.edu)

DOI

10.18126/o0og-8jf8 View on Datacite
The dataset contains VASP calculations for K-vacancy orderings in layered host structures of KxCrO2 enumerated using the CASM code (https://github.com/prisms-center/CASMcode), as well as some cluster expansion predictions and calculations of magnetic orderings.