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Title: Materials Data on CaAlSi by Materials Project

Abstract

CaAlSi is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ca is bonded to six equivalent Al and six equivalent Si atoms to form a mixture of edge and face-sharing CaAl6Si6 cuboctahedra. All Ca–Al bond lengths are 3.27 Å. All Ca–Si bond lengths are 3.27 Å. Al is bonded in a distorted trigonal planar geometry to six equivalent Ca and three equivalent Si atoms. All Al–Si bond lengths are 2.43 Å. Si is bonded in a distorted trigonal planar geometry to six equivalent Ca and three equivalent Al atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3173
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; CaAlSi; Al-Ca-Si
OSTI Identifier:
1205871
DOI:
10.17188/1205871

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CaAlSi by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1205871.
Persson, Kristin, & Project, Materials. Materials Data on CaAlSi by Materials Project. United States. doi:10.17188/1205871.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on CaAlSi by Materials Project". United States. doi:10.17188/1205871. https://www.osti.gov/servlets/purl/1205871. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1205871,
title = {Materials Data on CaAlSi by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CaAlSi is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ca is bonded to six equivalent Al and six equivalent Si atoms to form a mixture of edge and face-sharing CaAl6Si6 cuboctahedra. All Ca–Al bond lengths are 3.27 Å. All Ca–Si bond lengths are 3.27 Å. Al is bonded in a distorted trigonal planar geometry to six equivalent Ca and three equivalent Si atoms. All Al–Si bond lengths are 2.43 Å. Si is bonded in a distorted trigonal planar geometry to six equivalent Ca and three equivalent Al atoms.},
doi = {10.17188/1205871},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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