Materials Data on Nd5MgAl4 by Materials Project

doi:10.17188/1740464

Title: Materials Data on Nd5MgAl4 by Materials Project

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Abstract

MgNd5Al4 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Nd atoms. All Mg–Nd bond lengths are 3.35 Å. There are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Al atoms. All Nd–Al bond lengths are 3.19 Å. In the second Nd site, Nd is bonded in a body-centered cubic geometry to eight Al atoms. There are four shorter (3.22 Å) and four longer (3.27 Å) Nd–Al bond lengths. In the third Nd site, Nd is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Nd–Al bond lengths are 3.23 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a body-centered cubic geometry to eight Nd atoms. In the second Al site, Al is bonded in a body-centered cubic geometry to eight Nd atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1220192

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; Nd5MgAl4; Al-Mg-Nd

OSTI Identifier:: 1740464

DOI:: https://doi.org/10.17188/1740464

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                    The Materials Project. Materials Data on Nd5MgAl4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740464.

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                    The Materials Project. Materials Data on Nd5MgAl4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1740464

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                    The Materials Project. 2020.  
"Materials Data on Nd5MgAl4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1740464.  https://www.osti.gov/servlets/purl/1740464. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1740464,

  title        = {Materials Data on Nd5MgAl4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgNd5Al4 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Nd atoms. All Mg–Nd bond lengths are 3.35 Å. There are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Al atoms. All Nd–Al bond lengths are 3.19 Å. In the second Nd site, Nd is bonded in a body-centered cubic geometry to eight Al atoms. There are four shorter (3.22 Å) and four longer (3.27 Å) Nd–Al bond lengths. In the third Nd site, Nd is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Nd–Al bond lengths are 3.23 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a body-centered cubic geometry to eight Nd atoms. In the second Al site, Al is bonded in a body-centered cubic geometry to eight Nd atoms.},

  doi          = {10.17188/1740464},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1740464

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