Published September 7, 2026
| Version v1
Dataset
Open
Data for "Strong Impact of Halide Ordering on Structural Phase Transitions in Mixed Perovskites"
Authors/Creators
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1.
Chalmers University of Technology
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2.
University of Birmingham, School of Chemistry
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3.
University of Birmingham
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4.
University of Warwick
Description
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 calorineMACE_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 paperrecreate-figures.py– a python script that reads the data and reacreates the figures in the papersupport.py– contains python functions used to plot the figurs
Files
nep.txt
Files
(256.1 MB)
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