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. 2024 Nov 4;25(1):2423600. doi: 10.1080/14686996.2024.2423600

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© 2024 The Author(s). Published by National Institute for Materials Science in partnership with Taylor & Francis Group.

This is an Open Access article distributed under the terms of the Creative Commons Attribution-NonCommercial License (http://creativecommons.org/licenses/by-nc/4.0/), which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited. The terms on which this article has been published allow the posting of the Accepted Manuscript in a repository by the author(s) or with their consent.

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Figure 26. — Averaged negative-signed COHPs in (a) Li₂SrNb₂O₇ and (e) Li₂CaNb₂O₇ for all atom pairs with bond lengths less than 3 Å. Negative-signed COHPs between Nb 4d and O 2p states for (b) Li₂SrNb₂O₇ and (f) Li₂CaNb₂O₇ in the cmcm and pmcn phases. Schematic energy level diagrams for the cmcm and pmcn phases of (c, d) Li₂SrNb₂O₇ and (g, h) Li₂CaNb₂O₇ are described. Adapted with permission from ref. [187]. Copyright 2021 American chemical society.