Data for: Thermodynamics of proton insertion across the perovskite-brownmillerite transition in La0.5Sr0.5CoO3-δ
Loading...
Persistent link to this item
Statistics
View StatisticsCollection Period
2025-04-01
2025-09-30
2025-09-30
Date Completed
2025-12-15
item.page.dateupdated
Time period coverage
Geographic coverage
Source information
Journal Title
Journal ISSN
Volume Title
Published Date
Author Contact
Lannerd, Armand J
lanne056@umn.edu
lanne056@umn.edu
Abstract
This repository exists to share the data and scripts used in the paper "Thermodynamics of proton insertion across the perovskite-brownmillerite transition in La0.5Sr0.5CoO3-δ" by Armand J. Lannerd, Nathan J. Szymanski, and Christopher J. Bartel. The files are contained in the folder `protonation-of-lsco` with additional detailed information presented in the `README.md` files of each subfolder (`scripts`, `figures`, `dos_data`, and `data`).
Description
The `protonation-of-lsco` zip includes the plots which appear in our manuscript, along with the data and scripts used to generate them. In addition to the structures, energies, and other data related to host, oxygen vacancy, and hydrogen interstitial structures of La0.5Sr0.5CoO3-δ (and SrCoO2.5), metadata (e.g., INCAR settings) related to the first-principle calculations is included in the data files. Each subfolder (`scripts`, `figures`, `dos_data`, and `data`) contains a detailed README.md file that provides additional information related to the files contained within.
Referenced by
Lannerd, A. J., Szymanski, N. J., & Bartel, C. J. Thermodynamics of proton insertion across the perovskite-brownmillerite transition in La0.5Sr0.5CoO3-δ. Physical Review Materials (2026) https://doi.org/10.1103/tgp7-n673
Related to
item.page.isreplacedby
License
Attribution-NonCommercial 4.0 International
http://creativecommons.org/licenses/by-nc/4.0/
http://creativecommons.org/licenses/by-nc/4.0/
Publisher
Collections
Funding Information
This work was supported primarily by the National Science Foundation through the University of Minnesota MRSEC under Award Number DMR-2011401. This material is based upon work partially supported by the National Science Foundation Graduate Research Fellowship Program under Grant No. 2237827. Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect the views of the National Science Foundation. The authors acknowledge the Minnesota Supercomputing Institute (MSI) at the University of Minnesota for providing resources that contributed to the research results reported within this paper.
item.page.sponsorshipfunderid
item.page.sponsorshipfundingagency
item.page.sponsorshipgrant
Previously Published Citation
Other identifiers
Suggested Citation
Lannerd, Armand J; Szymanski, Nathan J; Bartel, Christopher J. (2026). Data for: Thermodynamics of proton insertion across the perovskite-brownmillerite transition in La0.5Sr0.5CoO3-δ. Retrieved from the Data Repository for the University of Minnesota (DRUM), https://hdl.handle.net/11299/277739.
View/Download File
File View/Open
Description
Size
protonation-of-lsco.zip
(2.87 GB)
Content distributed via the University Digital Conservancy may be subject to additional license and use restrictions applied by the depositor. By using these files, users agree to the Terms of Use. Materials in the UDC may contain content that is disturbing and/or harmful. For more information, please see our statement on harmful content in digital repositories.