Models of phosphorus-related point defects in rutile GeO2

Published: 9 September 2026| Version 1 | DOI: 10.17632/cwrs86pxbg.1
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Description

This dataset contains files with the coordinates of atoms in rutile-phase GeO2, including phosphorus-related point defects, obtained with DFT.

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Institutions

Categories

DFT Method Application, Advanced Material

Funders

  • Fundação para a Ciência e a Tecnologia
    Grant ID: UID/50025/2025, UID/PRR/50025/2025, UID/PRR2/50025/2025, LA/P/0037/2020, UID/50011/2025, LA/P/0006/2020, CEECINSTLA/00005/2022, 2023.06511.CEECIND

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