Materials Data on Si3As by Materials Project

doi:10.17188/1315929

Title: Materials Data on Si3As by Materials Project

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Abstract

Si3As crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Si is bonded in a 12-coordinate geometry to six equivalent Si and four equivalent As atoms. There are two shorter (2.68 Å) and four longer (2.78 Å) Si–Si bond lengths. There are two shorter (2.83 Å) and two longer (2.89 Å) Si–As bond lengths. As is bonded to twelve equivalent Si atoms to form a mixture of face and corner-sharing AsSi12 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mp-978510

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:: 1315929

DOI:: https://doi.org/10.17188/1315929

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                    The Materials Project. Materials Data on Si3As by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1315929.

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                    The Materials Project. Materials Data on Si3As by Materials Project.  United States.  doi:https://doi.org/10.17188/1315929

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                    The Materials Project. 2020.  
"Materials Data on Si3As by Materials Project".  United States.  doi:https://doi.org/10.17188/1315929.  https://www.osti.gov/servlets/purl/1315929. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1315929,

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

  author       = {The Materials Project},

  abstractNote = {Si3As crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Si is bonded in a 12-coordinate geometry to six equivalent Si and four equivalent As atoms. There are two shorter (2.68 Å) and four longer (2.78 Å) Si–Si bond lengths. There are two shorter (2.83 Å) and two longer (2.89 Å) Si–As bond lengths. As is bonded to twelve equivalent Si atoms to form a mixture of face and corner-sharing AsSi12 cuboctahedra.},

  doi          = {10.17188/1315929},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1315929

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