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Title: Materials Data on Si by Materials Project

Abstract

Si is Theoretical Carbon Structure-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four 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 one shorter (2.40 Å) and one longer (2.42 Å) Si–Si bond lengths. In the third Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. There are one shorter (2.32 Å) and two longer (2.35 Å) Si–Si bond lengths. In the fourth Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. Both Si–Si bond lengths are 2.35 Å.

Authors:
Publication Date:
Other Number(s):
mp-1079297
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:
1708244
DOI:
https://doi.org/10.17188/1708244

Citation Formats

The Materials Project. Materials Data on Si by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1708244.
The Materials Project. Materials Data on Si by Materials Project. United States. doi:https://doi.org/10.17188/1708244
The Materials Project. 2020. "Materials Data on Si by Materials Project". United States. doi:https://doi.org/10.17188/1708244. https://www.osti.gov/servlets/purl/1708244. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1708244,
title = {Materials Data on Si by Materials Project},
author = {The Materials Project},
abstractNote = {Si is Theoretical Carbon Structure-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four 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 one shorter (2.40 Å) and one longer (2.42 Å) Si–Si bond lengths. In the third Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. There are one shorter (2.32 Å) and two longer (2.35 Å) Si–Si bond lengths. In the fourth Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. Both Si–Si bond lengths are 2.35 Å.},
doi = {10.17188/1708244},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}