Materials Data on Ca3Ag8 by Materials Project

doi:10.17188/1280653

Title: Materials Data on Ca3Ag8 by Materials Project

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Abstract

Ca3Ag8 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to twelve Ag atoms. There are a spread of Ca–Ag bond distances ranging from 3.15–3.56 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 2-coordinate geometry to four equivalent Ca and eight Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.84–3.14 Å. In the second Ag site, Ag is bonded to six equivalent Ca and six equivalent Ag atoms to form a mixture of face and corner-sharing AgCa6Ag6 cuboctahedra.

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

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)

Contributing Org.:: MIT; UC Berkeley; Duke; U Louvain

OSTI Identifier:: 1280653

Report Number(s):: mp-646824

DOE Contract Number:: AC02-05CH11231; EDCBEE

Resource Type:: Data

Resource Relation:: Related Information: https://materialsproject.org/citing

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; crystal structure; Ca3Ag8; Ag-Ca

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                    The Materials Project. Materials Data on Ca3Ag8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280653.

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                    The Materials Project. Materials Data on Ca3Ag8 by Materials Project.  United States.  https://doi.org/10.17188/1280653

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                    The Materials Project. 2020.  
        "Materials Data on Ca3Ag8 by Materials Project".  United States.  https://doi.org/10.17188/1280653.  https://www.osti.gov/servlets/purl/1280653.

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@article{osti_1280653,

  title        = {Materials Data on Ca3Ag8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ca3Ag8 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to twelve Ag atoms. There are a spread of Ca–Ag bond distances ranging from 3.15–3.56 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 2-coordinate geometry to four equivalent Ca and eight Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.84–3.14 Å. In the second Ag site, Ag is bonded to six equivalent Ca and six equivalent Ag atoms to form a mixture of face and corner-sharing AgCa6Ag6 cuboctahedra.},

  doi          = {10.17188/1280653},

  url          = {https://www.osti.gov/biblio/1280653},
  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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