Accelerated identification of equilibrium structures of multicomponent inorganic crystals using machine learning potentials
View DatasetKang, Sungwoo;Jeong, Wonseok;Hong, Changho;Hwang, Seungwoo;Yoon, Youngchae;Han, Seungwu
Description
This dataset provide the lowest-energy structures found by SPINNER during crystal structure prediction.
Contents:1. crystal structures in VASP input format (POSCAR)
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Publication Details
DOI
Publisher
figshare
Subfield
Materials Chemistry
Field
Materials Science
Domain
Physical Sciences
Confidence Score
94%
Source
Open Alex
Keywords
Computational Physics