Materials Data on GaFe by Materials Project

doi:10.17188/1722054

Title: Materials Data on GaFe by Materials Project

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Abstract

FeGa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Fe is bonded to six equivalent Fe and six equivalent Ga atoms to form FeGa6Fe6 cuboctahedra that share corners with eighteen equivalent FeGa6Fe6 cuboctahedra, edges with six equivalent FeGa6Fe6 cuboctahedra, edges with twelve equivalent GaGa6Fe6 cuboctahedra, faces with eight equivalent FeGa6Fe6 cuboctahedra, and faces with twelve equivalent GaGa6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.75 Å. All Fe–Ga bond lengths are 2.57 Å. Ga is bonded to six equivalent Fe and six equivalent Ga atoms to form GaGa6Fe6 cuboctahedra that share corners with eighteen equivalent GaGa6Fe6 cuboctahedra, edges with six equivalent GaGa6Fe6 cuboctahedra, edges with twelve equivalent FeGa6Fe6 cuboctahedra, faces with eight equivalent GaGa6Fe6 cuboctahedra, and faces with twelve equivalent FeGa6Fe6 cuboctahedra. All Ga–Ga bond lengths are 2.75 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1224926

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; GaFe; Fe-Ga

OSTI Identifier:: 1722054

DOI:: https://doi.org/10.17188/1722054

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                    The Materials Project. Materials Data on GaFe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1722054.

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                    The Materials Project. Materials Data on GaFe by Materials Project.  United States.  doi:https://doi.org/10.17188/1722054

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                    The Materials Project. 2020.  
"Materials Data on GaFe by Materials Project".  United States.  doi:https://doi.org/10.17188/1722054.  https://www.osti.gov/servlets/purl/1722054. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1722054,

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

  author       = {The Materials Project},

  abstractNote = {FeGa crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Fe is bonded to six equivalent Fe and six equivalent Ga atoms to form FeGa6Fe6 cuboctahedra that share corners with eighteen equivalent FeGa6Fe6 cuboctahedra, edges with six equivalent FeGa6Fe6 cuboctahedra, edges with twelve equivalent GaGa6Fe6 cuboctahedra, faces with eight equivalent FeGa6Fe6 cuboctahedra, and faces with twelve equivalent GaGa6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.75 Å. All Fe–Ga bond lengths are 2.57 Å. Ga is bonded to six equivalent Fe and six equivalent Ga atoms to form GaGa6Fe6 cuboctahedra that share corners with eighteen equivalent GaGa6Fe6 cuboctahedra, edges with six equivalent GaGa6Fe6 cuboctahedra, edges with twelve equivalent FeGa6Fe6 cuboctahedra, faces with eight equivalent GaGa6Fe6 cuboctahedra, and faces with twelve equivalent FeGa6Fe6 cuboctahedra. All Ga–Ga bond lengths are 2.75 Å.},

  doi          = {10.17188/1722054},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1722054

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