Materials Data on Si3H by Materials Project

doi:10.17188/1315916

Title: Materials Data on Si3H by Materials Project

Dataset

Abstract

(Si)6H2 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrogen molecules and one Si framework. In the Si framework, there are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent Si atoms to form a mixture of distorted edge and corner-sharing SiSi4 tetrahedra. All Si–Si bond lengths are 2.51 Å. In the second Si site, Si is bonded in a body-centered cubic geometry to eight equivalent Si atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-24

Other Number(s):: mp-978497

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; Si3H; H-Si

OSTI Identifier:: 1315916

DOI:: https://doi.org/10.17188/1315916

Citation Formats


                    The Materials Project. Materials Data on Si3H by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1315916.

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                    The Materials Project. Materials Data on Si3H by Materials Project.  United States.  doi:https://doi.org/10.17188/1315916

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                    The Materials Project. 2020.  
"Materials Data on Si3H by Materials Project".  United States.  doi:https://doi.org/10.17188/1315916.  https://www.osti.gov/servlets/purl/1315916. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1315916,

  title        = {Materials Data on Si3H by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Si)6H2 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrogen molecules and one Si framework. In the Si framework, there are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent Si atoms to form a mixture of distorted edge and corner-sharing SiSi4 tetrahedra. All Si–Si bond lengths are 2.51 Å. In the second Si site, Si is bonded in a body-centered cubic geometry to eight equivalent Si atoms.},

  doi          = {10.17188/1315916},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1315916

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