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Materials Data on Zr5Co4Ni by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1729623· OSTI ID:1729623
Zr5Co4Ni is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a body-centered cubic geometry to four equivalent Co and four equivalent Ni atoms. All Zr–Co bond lengths are 2.79 Å. All Zr–Ni bond lengths are 2.79 Å. In the second Zr site, Zr is bonded in a body-centered cubic geometry to eight Co atoms. There are four shorter (2.78 Å) and four longer (2.79 Å) Zr–Co bond lengths. In the third Zr site, Zr is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Zr–Co bond lengths are 2.78 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a body-centered cubic geometry to eight Zr atoms. In the second Co site, Co is bonded in a body-centered cubic geometry to eight Zr atoms. Ni is bonded in a body-centered cubic geometry to eight equivalent Zr 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:
1729623
Report Number(s):
mp-1215360
Country of Publication:
United States
Language:
English

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