Materials Data on NdCu5 by Materials Project

doi:10.17188/1187801

Title: Materials Data on NdCu5 by Materials Project

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Abstract

NdCu5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to eighteen Cu atoms. There are six shorter (2.95 Å) and twelve longer (3.28 Å) Nd–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Cu atoms. All Cu–Cu bond lengths are 2.53 Å. In the second Cu site, Cu is bonded to four equivalent Nd and eight Cu atoms to form a mixture of corner, edge, and face-sharing CuNd4Cu8 cuboctahedra. All Cu–Cu bond lengths are 2.56 Å.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-1140

DOE Contract Number:: AC02-05CH11231; EDCBEE

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)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; NdCu5; Cu-Nd

OSTI Identifier:: 1187801

DOI:: https://doi.org/10.17188/1187801

Citation Formats


                    The Materials Project. Materials Data on NdCu5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187801.

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                    The Materials Project. Materials Data on NdCu5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187801

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                    The Materials Project. 2020.  
"Materials Data on NdCu5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187801.  https://www.osti.gov/servlets/purl/1187801. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1187801,

  title        = {Materials Data on NdCu5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdCu5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to eighteen Cu atoms. There are six shorter (2.95 Å) and twelve longer (3.28 Å) Nd–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Cu atoms. All Cu–Cu bond lengths are 2.53 Å. In the second Cu site, Cu is bonded to four equivalent Nd and eight Cu atoms to form a mixture of corner, edge, and face-sharing CuNd4Cu8 cuboctahedra. All Cu–Cu bond lengths are 2.56 Å.},

  doi          = {10.17188/1187801},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1187801

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