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Figure 2
Energy of formation of fully relaxed interface cells as a function of the interface cell size fitted to equation (2[link]). All values are normalized to an average of the ground-state energy of quartz and coesite at ambient pressure. Strain energies δ are given by the energies at x = 0.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 58| Part 1| February 2025| Pages 180-186
https://doi.org/10.1107/S1600576725000093
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