Materials Data on Ga3Ag by Materials Project

doi:10.17188/1679592

Title: Materials Data on Ga3Ag by Materials Project

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Abstract

AgGa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ag is bonded to twelve Ga atoms to form AgGa12 cuboctahedra that share corners with four equivalent AgGa12 cuboctahedra, corners with eight equivalent GaGa8Ag4 cuboctahedra, edges with eight equivalent AgGa12 cuboctahedra, edges with sixteen equivalent GaGa8Ag4 cuboctahedra, faces with four equivalent AgGa12 cuboctahedra, and faces with fourteen GaGa8Ag4 cuboctahedra. There are four shorter (2.97 Å) and eight longer (2.98 Å) Ag–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Ag and eight Ga atoms to form GaGa8Ag4 cuboctahedra that share corners with twelve equivalent GaGa8Ag4 cuboctahedra, edges with eight equivalent AgGa12 cuboctahedra, edges with sixteen GaGa8Ag4 cuboctahedra, faces with four equivalent AgGa12 cuboctahedra, and faces with fourteen GaGa8Ag4 cuboctahedra. There are four shorter (2.97 Å) and four longer (2.98 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Ag and eight equivalent Ga atoms to form GaGa8Ag4 cuboctahedra that share corners with four equivalent GaGa8Ag4 cuboctahedra, corners with eight equivalent AgGa12 cuboctahedra, edges with twenty-four GaGa8Ag4 cuboctahedra, faces with six equivalent AgGa12 cuboctahedra, and faces withmore » twelve GaGa8Ag4 cuboctahedra.« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1184257

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:: 1679592

DOI:: https://doi.org/10.17188/1679592

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                    The Materials Project. Materials Data on Ga3Ag by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1679592.

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                    The Materials Project. Materials Data on Ga3Ag by Materials Project.  United States.  doi:https://doi.org/10.17188/1679592

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                    The Materials Project. 2020.  
"Materials Data on Ga3Ag by Materials Project".  United States.  doi:https://doi.org/10.17188/1679592.  https://www.osti.gov/servlets/purl/1679592. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1679592,

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

  author       = {The Materials Project},

  abstractNote = {AgGa3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ag is bonded to twelve Ga atoms to form AgGa12 cuboctahedra that share corners with four equivalent AgGa12 cuboctahedra, corners with eight equivalent GaGa8Ag4 cuboctahedra, edges with eight equivalent AgGa12 cuboctahedra, edges with sixteen equivalent GaGa8Ag4 cuboctahedra, faces with four equivalent AgGa12 cuboctahedra, and faces with fourteen GaGa8Ag4 cuboctahedra. There are four shorter (2.97 Å) and eight longer (2.98 Å) Ag–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Ag and eight Ga atoms to form GaGa8Ag4 cuboctahedra that share corners with twelve equivalent GaGa8Ag4 cuboctahedra, edges with eight equivalent AgGa12 cuboctahedra, edges with sixteen GaGa8Ag4 cuboctahedra, faces with four equivalent AgGa12 cuboctahedra, and faces with fourteen GaGa8Ag4 cuboctahedra. There are four shorter (2.97 Å) and four longer (2.98 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Ag and eight equivalent Ga atoms to form GaGa8Ag4 cuboctahedra that share corners with four equivalent GaGa8Ag4 cuboctahedra, corners with eight equivalent AgGa12 cuboctahedra, edges with twenty-four GaGa8Ag4 cuboctahedra, faces with six equivalent AgGa12 cuboctahedra, and faces with twelve GaGa8Ag4 cuboctahedra.},

  doi          = {10.17188/1679592},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1679592

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