Discovery of a low thermal conductivity oxide guided by probe structure prediction and machine learning

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

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