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May 29, 2026 - Materials Informatics Group
Riffe, William; Zare, Saman; Caratenuto, Andrew; Deijkers, Jeroen; Balachandran, Prasanna; Clarke, David; Hopkins, Patrick; Wadley, Haydn, 2026, "Replication Data for: The infrared optical properties of ytterbium disilicate", https://doi.org/10.18130/V3/HQKE0K, University of Virginia Dataverse, V1
This data repository contains crystal structure data in the form of crystallographic information files (CIFs), data from density functional theory calculations, and data from running the Phonopy code. The material of interest is the Yb2Si2O7. Using the data given in this repository, the phonon dispersion curves, phonon density of states, and phonon... |
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