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Mara Scheuermann

University of Bonn - Rheinische Friedrich-Wilhelms

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Structure and stability of 7:3 rare earth oxide-phosphates: a combined ab initio and experimental study

Number of pages: 20 Posted: 05 Nov 2025
Ligen Wang, Konrad Burkmann, Sergey V. Ushakov, Edric X. Wang, Jared Matteucci, Mara Scheuermann, Erik Melnitschuk, Robert Glaum, Hongwu Xu, Elizabeth Opila, Alexandra Navrotsky and Qi-Jun Hong
Arizona State University (ASU), Arizona State University (ASU), Arizona State University (ASU), University of Illinois at Urbana-Champaign, Arizona State University (ASU), University of Bonn - Rheinische Friedrich-Wilhelms, University of Bonn - Rheinische Friedrich-Wilhelms, University of Bonn - Rheinische Friedrich-Wilhelms, Arizona State University (ASU), University of Virginia - Department of Materials Science & Engineering, Arizona State University (ASU) - School of Molecular Sciences and Center for Materials of the Universe and Arizona State University (ASU)
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Density functional theory calculations, Rare earth oxide-phosphates, Formation energies, Thermodynamic stability, Vibrational entropy