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Title: Materials Data on ZrFeTe by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1313375· OSTI ID:1313375

ZrFeTe is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to four equivalent Fe and six equivalent Te atoms. All Zr–Fe bond lengths are 2.65 Å. All Zr–Te bond lengths are 3.06 Å. Fe is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Te atoms. All Fe–Te bond lengths are 2.65 Å. Te is bonded in a 10-coordinate geometry to six equivalent Zr and four equivalent Fe atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1313375
Report Number(s):
mp-961649
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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