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Jezierski, Daniel, 2026, "Supporting data for: Magnetic interactions as a pivotal determinant in stabilizing a novel AgIIAgIIIF5 polymorph with high-spin AgIII", https://doi.org/10.58132/MYUOES, Dane Badawcze UW, V1
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This repository contains two VASP DOSCAR output files storing the electronic density of states of monoclinic C2/c and triclinic P1 polymorphic forms of Ag2F5 together with POSCAR file with the optimized structure of C2/c Ag2F5 generated during the preparation of the publication: “Magnetic interactions as a pivotal determinant in stabilizing a novel AgIIAgIIIF5 polymorph with high-spin AgIII”.
The thumbnail presents the cover from Physical Chemistry Chemical Physics 07 December 2025, Issue 45 used under a CC-BY 2.0 licence for the article: Daniel Jezierski, Wojciech Grochala et al. "Magnetic interactions as a pivotal determinant in stabilizing a novel AgIIAgIIIF5 polymorph with high-spin AgIII".
density functional theory, magnetic interactions, Ag₂F₅, polymorphism, silver fluoride, electronic structure, altermagnetism, antiferromagnetism, mixed-valent, superexchange interaction
Jezierski, D.; Barone, P.; Grochala, W. Magnetic interactions as a pivotal determinant in stabilizing a novel AgIIAgIIIF5 polymorph with high-spin AgIII. Physical Chemistry Chemical Physics 2025, 27(45), 24167–24177. https://doi.org/10.1039/D5CP02086G https://doi.org/10.1039/D5CP02086G doi: 10.1039/D5CP02086G
CC BY - Creative Commons Attribution 4.0
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