Materials Data on Nd3Sc by Materials Project

doi:10.17188/1738093

Title: Materials Data on Nd3Sc by Materials Project

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Abstract

Nd3Sc is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded to eight equivalent Nd and four equivalent Sc atoms to form NdNd8Sc4 cuboctahedra that share corners with four equivalent ScNd12 cuboctahedra, corners with fourteen equivalent NdNd8Sc4 cuboctahedra, edges with six equivalent ScNd12 cuboctahedra, edges with twelve equivalent NdNd8Sc4 cuboctahedra, faces with four equivalent ScNd12 cuboctahedra, and faces with sixteen equivalent NdNd8Sc4 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.52–3.69 Å. There are two shorter (3.55 Å) and two longer (3.61 Å) Nd–Sc bond lengths. Sc is bonded to twelve equivalent Nd atoms to form ScNd12 cuboctahedra that share corners with six equivalent ScNd12 cuboctahedra, corners with twelve equivalent NdNd8Sc4 cuboctahedra, edges with eighteen equivalent NdNd8Sc4 cuboctahedra, faces with eight equivalent ScNd12 cuboctahedra, and faces with twelve equivalent NdNd8Sc4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1186283

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; Nd3Sc; Nd-Sc

OSTI Identifier:: 1738093

DOI:: https://doi.org/10.17188/1738093

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                    The Materials Project. Materials Data on Nd3Sc by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1738093.

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                    The Materials Project. Materials Data on Nd3Sc by Materials Project.  United States.  doi:https://doi.org/10.17188/1738093

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                    The Materials Project. 2020.  
"Materials Data on Nd3Sc by Materials Project".  United States.  doi:https://doi.org/10.17188/1738093.  https://www.osti.gov/servlets/purl/1738093. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1738093,

  title        = {Materials Data on Nd3Sc by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nd3Sc is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded to eight equivalent Nd and four equivalent Sc atoms to form NdNd8Sc4 cuboctahedra that share corners with four equivalent ScNd12 cuboctahedra, corners with fourteen equivalent NdNd8Sc4 cuboctahedra, edges with six equivalent ScNd12 cuboctahedra, edges with twelve equivalent NdNd8Sc4 cuboctahedra, faces with four equivalent ScNd12 cuboctahedra, and faces with sixteen equivalent NdNd8Sc4 cuboctahedra. There are a spread of Nd–Nd bond distances ranging from 3.52–3.69 Å. There are two shorter (3.55 Å) and two longer (3.61 Å) Nd–Sc bond lengths. Sc is bonded to twelve equivalent Nd atoms to form ScNd12 cuboctahedra that share corners with six equivalent ScNd12 cuboctahedra, corners with twelve equivalent NdNd8Sc4 cuboctahedra, edges with eighteen equivalent NdNd8Sc4 cuboctahedra, faces with eight equivalent ScNd12 cuboctahedra, and faces with twelve equivalent NdNd8Sc4 cuboctahedra.},

  doi          = {10.17188/1738093},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1738093

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