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Title: Materials Data on FeCuNi by Materials Project

Abstract

FeNiCu is alpha La-derived structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Fe is bonded to six equivalent Fe, three equivalent Ni, and three equivalent Cu atoms to form FeFe6Cu3Ni3 cuboctahedra that share corners with three equivalent NiFe3Cu3Ni6 cuboctahedra, corners with three equivalent CuFe3Cu6Ni3 cuboctahedra, corners with six equivalent FeFe6Cu3Ni3 cuboctahedra, edges with six equivalent FeFe6Cu3Ni3 cuboctahedra, edges with nine equivalent NiFe3Cu3Ni6 cuboctahedra, edges with nine equivalent CuFe3Cu6Ni3 cuboctahedra, faces with six equivalent FeFe6Cu3Ni3 cuboctahedra, faces with six equivalent NiFe3Cu3Ni6 cuboctahedra, and faces with six equivalent CuFe3Cu6Ni3 cuboctahedra. All Fe–Fe bond lengths are 2.47 Å. All Fe–Ni bond lengths are 2.41 Å. All Fe–Cu bond lengths are 2.55 Å. Ni is bonded to three equivalent Fe, six equivalent Ni, and three equivalent Cu atoms to form NiFe3Cu3Ni6 cuboctahedra that share corners with three equivalent FeFe6Cu3Ni3 cuboctahedra, corners with three equivalent CuFe3Cu6Ni3 cuboctahedra, corners with six equivalent NiFe3Cu3Ni6 cuboctahedra, edges with six equivalent NiFe3Cu3Ni6 cuboctahedra, edges with nine equivalent FeFe6Cu3Ni3 cuboctahedra, edges with nine equivalent CuFe3Cu6Ni3 cuboctahedra, faces with six equivalent FeFe6Cu3Ni3 cuboctahedra, faces with six equivalent NiFe3Cu3Ni6 cuboctahedra, and faces with six equivalent CuFe3Cu6Ni3 cuboctahedra. All Ni–Ni bond lengths are 2.47 Å. All Ni–Cu bondmore » lengths are 2.55 Å. Cu is bonded to three equivalent Fe, three equivalent Ni, and six equivalent Cu atoms to form CuFe3Cu6Ni3 cuboctahedra that share corners with three equivalent FeFe6Cu3Ni3 cuboctahedra, corners with three equivalent NiFe3Cu3Ni6 cuboctahedra, corners with six equivalent CuFe3Cu6Ni3 cuboctahedra, edges with six equivalent CuFe3Cu6Ni3 cuboctahedra, edges with nine equivalent FeFe6Cu3Ni3 cuboctahedra, edges with nine equivalent NiFe3Cu3Ni6 cuboctahedra, faces with six equivalent FeFe6Cu3Ni3 cuboctahedra, faces with six equivalent NiFe3Cu3Ni6 cuboctahedra, and faces with six equivalent CuFe3Cu6Ni3 cuboctahedra. All Cu–Cu bond lengths are 2.47 Å.« less

Publication Date:
Other Number(s):
mp-1224973
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; FeCuNi; Cu-Fe-Ni
OSTI Identifier:
1729405
DOI:
https://doi.org/10.17188/1729405

Citation Formats

The Materials Project. Materials Data on FeCuNi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729405.
The Materials Project. Materials Data on FeCuNi by Materials Project. United States. doi:https://doi.org/10.17188/1729405
The Materials Project. 2020. "Materials Data on FeCuNi by Materials Project". United States. doi:https://doi.org/10.17188/1729405. https://www.osti.gov/servlets/purl/1729405. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1729405,
title = {Materials Data on FeCuNi by Materials Project},
author = {The Materials Project},
abstractNote = {FeNiCu is alpha La-derived structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Fe is bonded to six equivalent Fe, three equivalent Ni, and three equivalent Cu atoms to form FeFe6Cu3Ni3 cuboctahedra that share corners with three equivalent NiFe3Cu3Ni6 cuboctahedra, corners with three equivalent CuFe3Cu6Ni3 cuboctahedra, corners with six equivalent FeFe6Cu3Ni3 cuboctahedra, edges with six equivalent FeFe6Cu3Ni3 cuboctahedra, edges with nine equivalent NiFe3Cu3Ni6 cuboctahedra, edges with nine equivalent CuFe3Cu6Ni3 cuboctahedra, faces with six equivalent FeFe6Cu3Ni3 cuboctahedra, faces with six equivalent NiFe3Cu3Ni6 cuboctahedra, and faces with six equivalent CuFe3Cu6Ni3 cuboctahedra. All Fe–Fe bond lengths are 2.47 Å. All Fe–Ni bond lengths are 2.41 Å. All Fe–Cu bond lengths are 2.55 Å. Ni is bonded to three equivalent Fe, six equivalent Ni, and three equivalent Cu atoms to form NiFe3Cu3Ni6 cuboctahedra that share corners with three equivalent FeFe6Cu3Ni3 cuboctahedra, corners with three equivalent CuFe3Cu6Ni3 cuboctahedra, corners with six equivalent NiFe3Cu3Ni6 cuboctahedra, edges with six equivalent NiFe3Cu3Ni6 cuboctahedra, edges with nine equivalent FeFe6Cu3Ni3 cuboctahedra, edges with nine equivalent CuFe3Cu6Ni3 cuboctahedra, faces with six equivalent FeFe6Cu3Ni3 cuboctahedra, faces with six equivalent NiFe3Cu3Ni6 cuboctahedra, and faces with six equivalent CuFe3Cu6Ni3 cuboctahedra. All Ni–Ni bond lengths are 2.47 Å. All Ni–Cu bond lengths are 2.55 Å. Cu is bonded to three equivalent Fe, three equivalent Ni, and six equivalent Cu atoms to form CuFe3Cu6Ni3 cuboctahedra that share corners with three equivalent FeFe6Cu3Ni3 cuboctahedra, corners with three equivalent NiFe3Cu3Ni6 cuboctahedra, corners with six equivalent CuFe3Cu6Ni3 cuboctahedra, edges with six equivalent CuFe3Cu6Ni3 cuboctahedra, edges with nine equivalent FeFe6Cu3Ni3 cuboctahedra, edges with nine equivalent NiFe3Cu3Ni6 cuboctahedra, faces with six equivalent FeFe6Cu3Ni3 cuboctahedra, faces with six equivalent NiFe3Cu3Ni6 cuboctahedra, and faces with six equivalent CuFe3Cu6Ni3 cuboctahedra. All Cu–Cu bond lengths are 2.47 Å.},
doi = {10.17188/1729405},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}