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Title: Materials Data on BaCu by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1204837· OSTI ID:1204837

BaCu crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two BaCu sheets oriented in the (0, 0, 1) direction. Ba is bonded in a 6-coordinate geometry to six equivalent Cu atoms. All Ba–Cu bond lengths are 3.34 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Ba and three equivalent Cu atoms. All Cu–Cu bond lengths are 2.60 Å.

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:
1204837
Report Number(s):
mp-30428
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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