2026-10-06 https://api.researchdata.se/oai-pmh

oai:researchdata.se:doi-10-5281-zenodo-22640312/0 2026-09-07 subject:ssif:103 subject:ssif:1 principal:slug:chalmers-university-of-technology

info:eu-repo/semantics/other http://purl.org/dc/dcmitype/Dataset https://doi.org/10.5281/zenodo.22640312 Data for "Strong Impact of Halide Ordering on Structural Phase Transitions in Mixed Perovskites" https://orcid.org/0009-0003-5615-8771 https://orcid.org/0000-0001-5262-3339 https://orcid.org/0000-0003-3395-1104 https://orcid.org/0000-0001-7413-291X https://orcid.org/0000-0002-9231-6779 https://orcid.org/0000-0002-2516-6061 Physical Sciences Fysik This record contains data supporting the paper "Strong Impact of Halide Ordering on Structural Phase Transitions in Mixed Perovskites". nep.txt – neuroevolution potential (NEP) model in a format that is compatible with, e.g., GPUMD or calorine MACE_stagetwo_compiled.model – MACE model in a format that is compatible with, e.g., LAMMPS *.json –  all data needed to recreate the figures included in the paper recreate-figures.py –  a python script that reads the data and reacreates the figures in the paper support.py –  contains python functions used to plot the figurs info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/ Chalmers University of Technology Chalmers tekniska högskola 2026-09-07T00:00:00Z