Materials Data on Ga3Ag by Materials Project

doi:10.17188/1731241

Title: Materials Data on Ga3Ag by Materials Project

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Abstract

AgGa3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag is bonded to twelve equivalent Ga atoms to form AgGa12 cuboctahedra that share corners with six equivalent AgGa12 cuboctahedra, corners with twelve equivalent GaGa8Ag4 cuboctahedra, edges with eighteen equivalent GaGa8Ag4 cuboctahedra, faces with eight equivalent AgGa12 cuboctahedra, and faces with twelve equivalent GaGa8Ag4 cuboctahedra. There are six shorter (2.91 Å) and six longer (3.07 Å) Ag–Ga bond lengths. Ga is bonded to four equivalent Ag and eight equivalent Ga atoms to form distorted GaGa8Ag4 cuboctahedra that share corners with four equivalent AgGa12 cuboctahedra, corners with fourteen equivalent GaGa8Ag4 cuboctahedra, edges with six equivalent AgGa12 cuboctahedra, edges with twelve equivalent GaGa8Ag4 cuboctahedra, faces with four equivalent AgGa12 cuboctahedra, and faces with sixteen equivalent GaGa8Ag4 cuboctahedra. There are a spread of Ga–Ga bond distances ranging from 2.90–3.07 Å.

Authors:: The Materials Project

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

Other Number(s):: mp-1184301

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; Ga3Ag; Ag-Ga

OSTI Identifier:: 1731241

DOI:: https://doi.org/10.17188/1731241

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                    The Materials Project. Materials Data on Ga3Ag by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1731241.

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                    The Materials Project. Materials Data on Ga3Ag by Materials Project.  United States.  doi:https://doi.org/10.17188/1731241

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                    The Materials Project. 2020.  
"Materials Data on Ga3Ag by Materials Project".  United States.  doi:https://doi.org/10.17188/1731241.  https://www.osti.gov/servlets/purl/1731241. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1731241,

  title        = {Materials Data on Ga3Ag by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AgGa3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag is bonded to twelve equivalent Ga atoms to form AgGa12 cuboctahedra that share corners with six equivalent AgGa12 cuboctahedra, corners with twelve equivalent GaGa8Ag4 cuboctahedra, edges with eighteen equivalent GaGa8Ag4 cuboctahedra, faces with eight equivalent AgGa12 cuboctahedra, and faces with twelve equivalent GaGa8Ag4 cuboctahedra. There are six shorter (2.91 Å) and six longer (3.07 Å) Ag–Ga bond lengths. Ga is bonded to four equivalent Ag and eight equivalent Ga atoms to form distorted GaGa8Ag4 cuboctahedra that share corners with four equivalent AgGa12 cuboctahedra, corners with fourteen equivalent GaGa8Ag4 cuboctahedra, edges with six equivalent AgGa12 cuboctahedra, edges with twelve equivalent GaGa8Ag4 cuboctahedra, faces with four equivalent AgGa12 cuboctahedra, and faces with sixteen equivalent GaGa8Ag4 cuboctahedra. There are a spread of Ga–Ga bond distances ranging from 2.90–3.07 Å.},

  doi          = {10.17188/1731241},

  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/10.17188/1731241

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