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Title: Materials Data on Zr5Co4Ni by Materials Project

Abstract

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.

Publication Date:
Other Number(s):
mp-1215360
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Zr5Co4Ni; Co-Ni-Zr
OSTI Identifier:
1729623
DOI:
https://doi.org/10.17188/1729623

Citation Formats

The Materials Project. Materials Data on Zr5Co4Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729623.
The Materials Project. Materials Data on Zr5Co4Ni by Materials Project. United States. doi:https://doi.org/10.17188/1729623
The Materials Project. 2020. "Materials Data on Zr5Co4Ni by Materials Project". United States. doi:https://doi.org/10.17188/1729623. https://www.osti.gov/servlets/purl/1729623. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1729623,
title = {Materials Data on Zr5Co4Ni by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1729623},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}