Materials Data on AlAgSe2 by Materials Project

doi:10.17188/1189924

Title: Materials Data on AlAgSe2 by Materials Project

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Abstract

AgAlSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Se2- atoms to form AgSe4 tetrahedra that share corners with four equivalent AgSe4 tetrahedra and corners with eight equivalent AlSe4 tetrahedra. All Ag–Se bond lengths are 2.68 Å. Al3+ is bonded to four equivalent Se2- atoms to form AlSe4 tetrahedra that share corners with four equivalent AlSe4 tetrahedra and corners with eight equivalent AgSe4 tetrahedra. All Al–Se bond lengths are 2.43 Å. Se2- is bonded to two equivalent Ag1+ and two equivalent Al3+ atoms to form corner-sharing SeAl2Ag2 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-14091

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; AlAgSe2; Ag-Al-Se

OSTI Identifier:: 1189924

DOI:: https://doi.org/10.17188/1189924

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                    The Materials Project. Materials Data on AlAgSe2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189924.

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                    The Materials Project. Materials Data on AlAgSe2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1189924

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                    The Materials Project. 2020.  
"Materials Data on AlAgSe2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1189924.  https://www.osti.gov/servlets/purl/1189924. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1189924,

  title        = {Materials Data on AlAgSe2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {AgAlSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Se2- atoms to form AgSe4 tetrahedra that share corners with four equivalent AgSe4 tetrahedra and corners with eight equivalent AlSe4 tetrahedra. All Ag–Se bond lengths are 2.68 Å. Al3+ is bonded to four equivalent Se2- atoms to form AlSe4 tetrahedra that share corners with four equivalent AlSe4 tetrahedra and corners with eight equivalent AgSe4 tetrahedra. All Al–Se bond lengths are 2.43 Å. Se2- is bonded to two equivalent Ag1+ and two equivalent Al3+ atoms to form corner-sharing SeAl2Ag2 tetrahedra.},

  doi          = {10.17188/1189924},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1189924

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