Materials Data on Si3As by Materials Project

doi:10.17188/1313912

Title: Materials Data on Si3As by Materials Project

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Abstract

Si3As is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Si sites. In the first Si site, Si is bonded in a body-centered cubic geometry to four equivalent Si and four equivalent As atoms. All Si–Si bond lengths are 2.75 Å. All Si–As bond lengths are 2.75 Å. In the second Si site, Si is bonded in a body-centered cubic geometry to eight equivalent Si atoms. As is bonded in a body-centered cubic geometry to eight equivalent Si atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-972752

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; Si3As; As-Si

OSTI Identifier:: 1313912

DOI:: https://doi.org/10.17188/1313912

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                    The Materials Project. Materials Data on Si3As by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1313912.

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                    The Materials Project. Materials Data on Si3As by Materials Project.  United States.  doi:https://doi.org/10.17188/1313912

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                    The Materials Project. 2020.  
"Materials Data on Si3As by Materials Project".  United States.  doi:https://doi.org/10.17188/1313912.  https://www.osti.gov/servlets/purl/1313912. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1313912,

  title        = {Materials Data on Si3As by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Si3As is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Si sites. In the first Si site, Si is bonded in a body-centered cubic geometry to four equivalent Si and four equivalent As atoms. All Si–Si bond lengths are 2.75 Å. All Si–As bond lengths are 2.75 Å. In the second Si site, Si is bonded in a body-centered cubic geometry to eight equivalent Si atoms. As is bonded in a body-centered cubic geometry to eight equivalent Si atoms.},

  doi          = {10.17188/1313912},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1313912

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