Search for low-periodic substructures in crystalline solids: a novel approach

NCCR MARVEL 2026 Dataset Open access

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Authors: Pavel N. Zolotarev, Davide Maria Proserpio, Davide Campi
DOI: 10.24435/materialscloud:f1-2k
Cited by: 0

Abstract

This record contains the two-dimensional substructures identified using a novel approach based on the crystal graph construction via Voronoi partition, interaction strength estimation via bond valence theory and the iterative removal of weak links, strating from experimentally known bulk compounds. We also report the results of DFT calculations on a subset of newly identified easily exfoliable and robust two-dimensional materials.

Fields of Study & Subjects

Machine Learning in Materials Science Crystal Structures and Properties 2D Materials and Applications

Publication details

Journal / source
NCCR MARVEL
Publication date
26 February 2026
Language
EN
Document type
Dataset