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Title: Materials Data on MgCuBi by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1204856· OSTI ID:1204856

MgCuBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to four equivalent Cu and six equivalent Bi atoms. All Mg–Cu bond lengths are 2.79 Å. All Mg–Bi bond lengths are 3.22 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Bi atoms. All Cu–Bi bond lengths are 2.79 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Mg and four equivalent Cu 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:
1204856
Report Number(s):
mp-30449
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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