Dataset of "Atomic-level description of thermal fluctuations in inorganic lead halide perovskites" publication

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Dataset information

Catalog

Zenodo catalog

Country of origin

EU institutions

Updated

2022.08.01 00:00

Created

2022.03.25

Available languages

English

Keywords

displacive phase transition, X-ray diffraction, phonon anharmonicity, lead halide perovskites, molecular dynamics, CsPbBr3, soft mode model, X-ray absorption spectroscopy, thermal disorder

Datasource

Official portal for European data link

Quality scoring

Dataset description

The "Zenodo_22-02-2022.zip" file contains a "files" folder and a jupyter notebook to plot the figures reported in the publication. The "files" folder contains several subfolders with the txt files required to plot the figures. The "XAS_simulations.zip" file contains a README.txt and few subfolders with input and output files needed to reproduce the XAS simulations. The README.txt explains the structure of the archive and the content of each subfolders.

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190K+

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countries and EU institutions

2019

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SLA

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