Materials Data on Si by Materials Project

doi:10.17188/1746662

Title: Materials Data on Si by Materials Project

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Abstract

Si is Theoretical Carbon Structure-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Si sites. In the first Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. There are a spread of Si–Si bond distances ranging from 2.35–2.39 Å. In the second Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. There are two shorter (2.36 Å) and one longer (2.39 Å) Si–Si bond lengths. In the third Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. The Si–Si bond length is 2.37 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1095269

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; Si; Si

OSTI Identifier:: 1746662

DOI:: https://doi.org/10.17188/1746662

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                    The Materials Project. Materials Data on Si by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746662.

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                    The Materials Project. Materials Data on Si by Materials Project.  United States.  doi:https://doi.org/10.17188/1746662

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                    The Materials Project. 2020.  
"Materials Data on Si by Materials Project".  United States.  doi:https://doi.org/10.17188/1746662.  https://www.osti.gov/servlets/purl/1746662. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1746662,

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

  author       = {The Materials Project},

  abstractNote = {Si is Theoretical Carbon Structure-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Si sites. In the first Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. There are a spread of Si–Si bond distances ranging from 2.35–2.39 Å. In the second Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. There are two shorter (2.36 Å) and one longer (2.39 Å) Si–Si bond lengths. In the third Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. The Si–Si bond length is 2.37 Å.},

  doi          = {10.17188/1746662},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1746662

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