1338 13 7406 2 42040 document 7406 MS_Data.zip application/zip 5d2ad962089d67f4d1421ded62c0faac MD5 432746427 2025-07-28 11:36:43 http://edata.bham.ac.uk/1338/1/MS_Data.zip 1338 1 1 application/zip archive public cc_by_4
MS_Data.zip
data archive 677 disk0/00/00/13/38 2025-08-06 12:57:25 2025-08-06 13:22:40 2025-08-06 12:57:25 data_collection show Shymanovich Maryia mxs1756@student.bham.ac.uk 0000-0001-6583-8435 Supervisor Scanlon David d.o.scanlon@bham.ac.uk 0000-0001-9174-8601 Supervisor Squires Alexander a.squires@bham.ac.uk 0000-0001-6967-3690 Research data supporting "Analysis of the cation disorder in CaAlSiN3 inorganic phosphor host crystal for solid-state lighting applications" 10col_ephy Dataset containing raw data (Cluster Expansion, Monte Carlo simulations, and VASP output files) and Python code (jupyter notebooks) used for the analysis of the results discussed in the report. “Files” folder contains data related to representative structures. “relaxed structures” and “data” folders contain POSCARs and energies, respectively, for the CE training set structures.”MC_7_4_50” contains data containers from Monte Carlo simulations. 2025-08-06 published University of Birmingham https://doi.org/10.25500/1338 Dataset research-data@contacts.bham.ac.uk School of Chemistry epsrc yes yes yes TRUE 2025-07-01 2025-07-31