Materials Data on Ag3Au by Materials Project

doi:10.17188/1667174

Title: Materials Data on Ag3Au by Materials Project

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Abstract

AuAg3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Au is bonded to twelve equivalent Ag atoms to form AuAg12 cuboctahedra that share corners with six equivalent AuAg12 cuboctahedra, corners with twelve equivalent AgAg8Au4 cuboctahedra, edges with eighteen equivalent AgAg8Au4 cuboctahedra, faces with eight equivalent AuAg12 cuboctahedra, and faces with twelve equivalent AgAg8Au4 cuboctahedra. There are six shorter (2.94 Å) and six longer (2.95 Å) Au–Ag bond lengths. Ag is bonded to four equivalent Au and eight equivalent Ag atoms to form distorted AgAg8Au4 cuboctahedra that share corners with four equivalent AuAg12 cuboctahedra, corners with fourteen equivalent AgAg8Au4 cuboctahedra, edges with six equivalent AuAg12 cuboctahedra, edges with twelve equivalent AgAg8Au4 cuboctahedra, faces with four equivalent AuAg12 cuboctahedra, and faces with sixteen equivalent AgAg8Au4 cuboctahedra. There are two shorter (2.94 Å) and six longer (2.95 Å) Ag–Ag bond lengths.

Authors:: The Materials Project

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

Other Number(s):: mp-1183205

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; Ag3Au; Ag-Au

OSTI Identifier:: 1667174

DOI:: https://doi.org/10.17188/1667174

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                    The Materials Project. Materials Data on Ag3Au by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1667174.

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                    The Materials Project. Materials Data on Ag3Au by Materials Project.  United States.  doi:https://doi.org/10.17188/1667174

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                    The Materials Project. 2020.  
"Materials Data on Ag3Au by Materials Project".  United States.  doi:https://doi.org/10.17188/1667174.  https://www.osti.gov/servlets/purl/1667174. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1667174,

  title        = {Materials Data on Ag3Au by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AuAg3 is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Au is bonded to twelve equivalent Ag atoms to form AuAg12 cuboctahedra that share corners with six equivalent AuAg12 cuboctahedra, corners with twelve equivalent AgAg8Au4 cuboctahedra, edges with eighteen equivalent AgAg8Au4 cuboctahedra, faces with eight equivalent AuAg12 cuboctahedra, and faces with twelve equivalent AgAg8Au4 cuboctahedra. There are six shorter (2.94 Å) and six longer (2.95 Å) Au–Ag bond lengths. Ag is bonded to four equivalent Au and eight equivalent Ag atoms to form distorted AgAg8Au4 cuboctahedra that share corners with four equivalent AuAg12 cuboctahedra, corners with fourteen equivalent AgAg8Au4 cuboctahedra, edges with six equivalent AuAg12 cuboctahedra, edges with twelve equivalent AgAg8Au4 cuboctahedra, faces with four equivalent AuAg12 cuboctahedra, and faces with sixteen equivalent AgAg8Au4 cuboctahedra. There are two shorter (2.94 Å) and six longer (2.95 Å) Ag–Ag bond lengths.},

  doi          = {10.17188/1667174},

  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/10.17188/1667174

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