Materials Data on CsSi by Materials Project

doi:10.17188/1189726

Title: Materials Data on CsSi by Materials Project

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Abstract

SiCs crystallizes in the cubic P-43n space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Cs–Si bond distances ranging from 3.58–4.03 Å. In the second Cs site, Cs is bonded in a 6-coordinate geometry to six Si atoms. There are three shorter (3.70 Å) and three longer (4.03 Å) Cs–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Cs and three equivalent Si atoms. There are two shorter (2.43 Å) and one longer (2.45 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to six Cs and three equivalent Si atoms. All Si–Si bond lengths are 2.44 Å.

Authors:: The Materials Project

Publication Date:: Fri May 29 00:00:00 EDT 2020

Other Number(s):: mp-1370

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; CsSi; Cs-Si

OSTI Identifier:: 1189726

DOI:: https://doi.org/10.17188/1189726

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                    The Materials Project. Materials Data on CsSi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189726.

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                    The Materials Project. Materials Data on CsSi by Materials Project.  United States.  doi:https://doi.org/10.17188/1189726

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                    The Materials Project. 2020.  
"Materials Data on CsSi by Materials Project".  United States.  doi:https://doi.org/10.17188/1189726.  https://www.osti.gov/servlets/purl/1189726. Pub date:Fri May 29 00:00:00 EDT 2020

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@article{osti_1189726,

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

  author       = {The Materials Project},

  abstractNote = {SiCs crystallizes in the cubic P-43n space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Cs–Si bond distances ranging from 3.58–4.03 Å. In the second Cs site, Cs is bonded in a 6-coordinate geometry to six Si atoms. There are three shorter (3.70 Å) and three longer (4.03 Å) Cs–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Cs and three equivalent Si atoms. There are two shorter (2.43 Å) and one longer (2.45 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to six Cs and three equivalent Si atoms. All Si–Si bond lengths are 2.44 Å.},

  doi          = {10.17188/1189726},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 29 00:00:00 EDT 2020},

  month        = {Fri May 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1189726

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