Materials Data on Ag3Pd by Materials Project

doi:10.17188/1719802

Title: Materials Data on Ag3Pd by Materials Project

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Abstract

PdAg3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd is bonded to twelve equivalent Ag atoms to form PdAg12 cuboctahedra that share corners with six equivalent PdAg12 cuboctahedra, corners with twelve equivalent AgAg8Pd4 cuboctahedra, edges with eighteen equivalent AgAg8Pd4 cuboctahedra, faces with eight equivalent PdAg12 cuboctahedra, and faces with twelve equivalent AgAg8Pd4 cuboctahedra. There are six shorter (2.89 Å) and six longer (2.90 Å) Pd–Ag bond lengths. Ag is bonded to four equivalent Pd and eight equivalent Ag atoms to form AgAg8Pd4 cuboctahedra that share corners with four equivalent PdAg12 cuboctahedra, corners with fourteen equivalent AgAg8Pd4 cuboctahedra, edges with six equivalent PdAg12 cuboctahedra, edges with twelve equivalent AgAg8Pd4 cuboctahedra, faces with four equivalent PdAg12 cuboctahedra, and faces with sixteen equivalent AgAg8Pd4 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.87–2.92 Å.

Authors:: The Materials Project

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

Other Number(s):: mp-1183206

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; Ag3Pd; Ag-Pd

OSTI Identifier:: 1719802

DOI:: https://doi.org/10.17188/1719802

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                    The Materials Project. Materials Data on Ag3Pd by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1719802.

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                    The Materials Project. Materials Data on Ag3Pd by Materials Project.  United States.  doi:https://doi.org/10.17188/1719802

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                    The Materials Project. 2020.  
"Materials Data on Ag3Pd by Materials Project".  United States.  doi:https://doi.org/10.17188/1719802.  https://www.osti.gov/servlets/purl/1719802. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1719802,

  title        = {Materials Data on Ag3Pd by Materials Project},

  author       = {The Materials Project},

  abstractNote = {PdAg3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pd is bonded to twelve equivalent Ag atoms to form PdAg12 cuboctahedra that share corners with six equivalent PdAg12 cuboctahedra, corners with twelve equivalent AgAg8Pd4 cuboctahedra, edges with eighteen equivalent AgAg8Pd4 cuboctahedra, faces with eight equivalent PdAg12 cuboctahedra, and faces with twelve equivalent AgAg8Pd4 cuboctahedra. There are six shorter (2.89 Å) and six longer (2.90 Å) Pd–Ag bond lengths. Ag is bonded to four equivalent Pd and eight equivalent Ag atoms to form AgAg8Pd4 cuboctahedra that share corners with four equivalent PdAg12 cuboctahedra, corners with fourteen equivalent AgAg8Pd4 cuboctahedra, edges with six equivalent PdAg12 cuboctahedra, edges with twelve equivalent AgAg8Pd4 cuboctahedra, faces with four equivalent PdAg12 cuboctahedra, and faces with sixteen equivalent AgAg8Pd4 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.87–2.92 Å.},

  doi          = {10.17188/1719802},

  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/10.17188/1719802

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