cs2lifecl6_figuresets_data_and_scripts

Zenodo (CERN European Organization for Nuclear Research) 2026 Dataset Open access

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Authors: Md. Jahidul Islam, Mahbub Alam Rabin, Fahmida Gulshan
DOI: 10.5281/zenodo.18434642
Cited by: 0

Abstract

This repository provides DFT-calculated electronic (band structure and DOS), phonon (dispersion and DOS), elastic, mechanical, and optical properties of the lead-free double perovskite Cs2LiFeCl6, supporting the findings of the associated manuscript.

Fields of Study & Subjects

Perovskite Materials and Applications Machine Learning in Materials Science Advanced Chemical Physics Studies

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
30 January 2026
Document type
Dataset