PyHTStack2D: A Python package for high-throughput homo/hetero stacking of 2D materials

Two-dimensional (2D) van der Waals (vdWs) structures are the subject of extensive research in materials science, celebrated for their unique physical properties and potential technological applications. However, the diversity of stacking modes in 2D vdWs structures poses a challenge for research. In...

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Bibliographic Details

Published in:	Computer physics communications Vol. 312; p. 109618
Main Authors:	Zhang, Qian, Yang, Jinlong, Hu, Wei
Format:	Journal Article
Language:	English
Published:	Elsevier B.V 01.07.2025
Subjects:	2D layered structure Bash High-throughput first-principle calculation Python Stacking mode High-throughput first-principle calculation 2D layered structure Bash Stacking mode Python
ISSN:	0010-4655
Online Access:	Get full text
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