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Title: Materials Data on Si3H by Materials Project

Abstract

Si3H crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Si3H sheets 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 (2.36 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 2.37 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.

Authors:
Publication Date:
Other Number(s):
mp-1040468
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:
1405340
DOI:
https://doi.org/10.17188/1405340

Citation Formats

The Materials Project. Materials Data on Si3H by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1405340.
The Materials Project. Materials Data on Si3H by Materials Project. United States. doi:https://doi.org/10.17188/1405340
The Materials Project. 2020. "Materials Data on Si3H by Materials Project". United States. doi:https://doi.org/10.17188/1405340. https://www.osti.gov/servlets/purl/1405340. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1405340,
title = {Materials Data on Si3H by Materials Project},
author = {The Materials Project},
abstractNote = {Si3H crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Si3H sheets 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 (2.36 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 2.37 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 = {10.17188/1405340},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}