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The density of Sb 80 Te20 [, 0031-9015, () 10.1143/JPSJ.72.2546] was adjusted for the sizes of Ag and In, and the energetics checked with short MD sequences at 850 K at different volumes. This density is close to the measured value of Ag 3.4 In3.7 Sb76.4 Te16.4 at 830 K [, Jpn. J. Appl. Phys., Part 1 0021-4922 43, 4704 (2004)]. 10.1143/JJAP.43.4704
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See EPAPS Document No. E-APPLAB-94-044925 for supplementary materials on the simulation, bond length and angle distributions, partial coordination numbers, cavities and atomic charges, and diffusion constants.
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See EPAPS Document No. http://dx.doi.org/10.1063/1.3157166 E-APPLAB-94-044925 for supplementary materials on the simulation, bond length and angle distributions, partial coordination numbers, cavities and atomic charges, and diffusion constants.
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