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Materials Data on Mg4CdAg5 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1759383· OSTI ID:1759383
Mg4Ag5Cd is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a body-centered cubic geometry to eight Ag atoms. There are four shorter (2.87 Å) and four longer (2.90 Å) Mg–Ag bond lengths. In the second Mg site, Mg is bonded in a body-centered cubic geometry to eight Ag atoms. There are four shorter (2.90 Å) and four longer (2.91 Å) Mg–Ag bond lengths. There are three inequivalent Ag sites. In the first Ag site, Ag is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Cd atoms. All Ag–Cd bond lengths are 2.94 Å. In the second Ag site, Ag is bonded in a body-centered cubic geometry to eight Mg atoms. In the third Ag site, Ag is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. Cd is bonded in a body-centered cubic geometry to eight equivalent Ag atoms.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1759383
Report Number(s):
mp-1222139
Country of Publication:
United States
Language:
English

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