DFT Optimized Crystal Structures of ZnIn2S4 Polymorphs

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

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Authors: Thejus Vignesh R, B Ezhilarasi
DOI: 10.5281/zenodo.18857857
Cited by: 0

Abstract

This dataset contains optimized crystal structures of ZnIn2S4 polymorphs obtained from first-principles DFT calculations. The dataset includes hexagonal, cubic, trigonal, and monoclinic structures used in the present study.

Fields of Study & Subjects

Crystal Structures and Properties Machine Learning in Materials Science Advanced Chemical Physics Studies

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
4 March 2026
Language
EN
Document type
Dataset