Collins, Chris, Gibson, Quinn, Daniels, Luke, Gaultois, Michael, Moran, Michael, Feetham, Richard, Pitcher, Michael, Dyer, Matthew, Delacotte, Charlene, Zanella, Marco, Murray, Claire, Glodan, Gyorgyi, Perez, Olivier, Pelloquin, Denis, Manning, Troy, Alaria, Jonathan, Darling, George, Claridge, John and Rosseinsky, Matthew (2020) Discovery of a low thermal conductivity oxide guided by probe structure prediction and machine learning. [Data Collection]
Description
Data supporting the peer-reviewed article 10.1002/anie.202102073, on the computational identification of a new oxide compound with complex aperiodic structure and low thermal conductivity. The deposit includes experimental data (X-ray and neutron powder diffraction; electron microscopy images, heat capacity measurements, thermal conductivity measurements, Raman measurements), as well as computational data (probe structure calculations, DFT, machine learning models). Please note: ReadMe files are included to explain the contents of individual zip files.
| Keywords: | Materials discovery, transition metal oxide, aperiodic structure, thermal conductivity, machine learning |
|---|---|
| Divisions: | Faculty of Science and Engineering > School of Physical Sciences |
| Depositing User: | Luke Daniels |
| Date Deposited: | 06 May 2021 10:04 |
| Last Modified: | 06 May 2021 10:04 |
| DOI: | 10.17638/datacat.liverpool.ac.uk/1047 |
| URI: | https://datacat.liverpool.ac.uk/id/eprint/1047 |
Available Files
Data
Creative Commons: Attribution 3.0 |
Creative Commons: Attribution 3.0 |
Creative Commons: Attribution 3.0 |
Creative Commons: Attribution 3.0 |
Creative Commons: Attribution 3.0 |
Creative Commons: Attribution 3.0 |
Creative Commons: Attribution 3.0 |
Creative Commons: Attribution 3.0 |
Creative Commons: Attribution 3.0 |
Creative Commons: Attribution 3.0 |
Read me
Creative Commons: Attribution 3.0 |