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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; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Si3H; H-Si
OSTI Identifier:
1317018
DOI:
https://doi.org/10.17188/1317018

Citation Formats

The Materials Project. Materials Data on Si3H by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317018.
The Materials Project. Materials Data on Si3H by Materials Project. United States. doi:https://doi.org/10.17188/1317018
The Materials Project. 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:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1317018,
title = {Materials Data on Si3H by Materials Project},
author = {The 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}
}