Supporting Data for “Correlated Anion-Disorder in Heteroanionic Cubic TiOF₂”

Author: Benjamin J. Morgan
ORCID: 0000-0002-3056-8233

This is the Supporting Dataset for the manuscript “Correlated Anion-Disorder in Heteroanionic Cubic TiOF₂”. doi: 10.1021/jacs.4c06304.

The dataset comprises three sections:

1. DFT and cluster expansion calculations performed to study O/F disorder in TiOF₂. (directory)
2. Scripts and raw numerical data for all figures included in the main manuscript and the Supporting Information (directory)
3. Additional Supporting Data. (directory)