Materials Data on AlVFe2 by Materials Project

doi:10.17188/1749359

Title: Materials Data on AlVFe2 by Materials Project

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Abstract

Fe2VAl crystallizes in the cubic F-43m space group. The structure is three-dimensional. V is bonded in a distorted body-centered cubic geometry to ten Fe and four equivalent Al atoms. There are four shorter (2.53 Å) and six longer (2.93 Å) V–Fe bond lengths. All V–Al bond lengths are 2.53 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 4-coordinate geometry to six equivalent V, four equivalent Fe, and four equivalent Al atoms. All Fe–Fe bond lengths are 2.53 Å. All Fe–Al bond lengths are 2.53 Å. In the second Fe site, Fe is bonded in a 4-coordinate geometry to four equivalent V, four equivalent Fe, and six equivalent Al atoms. All Fe–Al bond lengths are 2.93 Å. Al is bonded in a 8-coordinate geometry to four equivalent V and ten Fe atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1228804

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; AlVFe2; Al-Fe-V

OSTI Identifier:: 1749359

DOI:: https://doi.org/10.17188/1749359

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                    The Materials Project. Materials Data on AlVFe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749359.

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                    The Materials Project. Materials Data on AlVFe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749359

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                    The Materials Project. 2020.  
"Materials Data on AlVFe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749359.  https://www.osti.gov/servlets/purl/1749359. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1749359,

  title        = {Materials Data on AlVFe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Fe2VAl crystallizes in the cubic F-43m space group. The structure is three-dimensional. V is bonded in a distorted body-centered cubic geometry to ten Fe and four equivalent Al atoms. There are four shorter (2.53 Å) and six longer (2.93 Å) V–Fe bond lengths. All V–Al bond lengths are 2.53 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 4-coordinate geometry to six equivalent V, four equivalent Fe, and four equivalent Al atoms. All Fe–Fe bond lengths are 2.53 Å. All Fe–Al bond lengths are 2.53 Å. In the second Fe site, Fe is bonded in a 4-coordinate geometry to four equivalent V, four equivalent Fe, and six equivalent Al atoms. All Fe–Al bond lengths are 2.93 Å. Al is bonded in a 8-coordinate geometry to four equivalent V and ten Fe atoms.},

  doi          = {10.17188/1749359},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1749359

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