Title: Materials Data on Si3H by Materials Project

Abstract

Si3H crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Si3H sheet oriented in the (0, 0, 1) direction. 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 three shorter (2.37 Å) and one longer (2.39 Å) Si–Si bond lengths. In the second Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. All Si–Si bond lengths are 2.36 Å. In the third Si site, Si is bonded in a single-bond geometry to three equivalent Si and one H atom. The Si–H bond length is 1.50 Å. H is bonded in a single-bond geometry to one Si atom.

Publication Date:
Other Number(s):
mp-995193
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; crystal structure; H-Si; Si3H
OSTI Identifier:
1317018
DOI:
https://doi.org/10.17188/1317018

Citation Formats

Materials Data on Si3H by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317018.
Copy to clipboard
Materials Data on Si3H by Materials Project. United States. doi:https://doi.org/10.17188/1317018
Copy to clipboard
2020. "Materials Data on Si3H by Materials Project". United States. doi:https://doi.org/10.17188/1317018. https://www.osti.gov/servlets/purl/1317018. Pub date:Sun Jul 19 20:00:00 EDT 2020
Copy to clipboard
@article{osti_1317018,
title = {Materials Data on Si3H by Materials Project},
abstractNote = {Si3H crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Si3H sheet oriented in the (0, 0, 1) direction. 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 three shorter (2.37 Å) and one longer (2.39 Å) Si–Si bond lengths. In the second Si site, Si is bonded to four Si atoms to form corner-sharing SiSi4 tetrahedra. All Si–Si bond lengths are 2.36 Å. In the third Si site, Si is bonded in a single-bond geometry to three equivalent Si and one H atom. The Si–H bond length is 1.50 Å. H is bonded in a single-bond geometry to one Si atom.},
doi = {10.17188/1317018},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
Copy to clipboard
Dataset:
View Dataset
DOI: https://doi.org/10.17188/1317018
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Similar records in DOE Data Explorer and OSTI.GOV collections: