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Title: Materials Data on TaTiAl by Materials Project

Abstract

TiAlTa is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti is bonded in a 4-coordinate geometry to four equivalent Ta and six equivalent Al atoms. All Ti–Ta bond lengths are 2.75 Å. All Ti–Al bond lengths are 3.17 Å. Ta is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Al atoms. All Ta–Al bond lengths are 2.75 Å. Al is bonded to six equivalent Ti and four equivalent Ta atoms to form a mixture of distorted corner and face-sharing AlTa4Ti6 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631484
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; TaTiAl; Al-Ta-Ti
OSTI Identifier:
1279177
DOI:
10.17188/1279177

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on TaTiAl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279177.
Persson, Kristin, & Project, Materials. Materials Data on TaTiAl by Materials Project. United States. doi:10.17188/1279177.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on TaTiAl by Materials Project". United States. doi:10.17188/1279177. https://www.osti.gov/servlets/purl/1279177. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1279177,
title = {Materials Data on TaTiAl by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {TiAlTa is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti is bonded in a 4-coordinate geometry to four equivalent Ta and six equivalent Al atoms. All Ti–Ta bond lengths are 2.75 Å. All Ti–Al bond lengths are 3.17 Å. Ta is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Al atoms. All Ta–Al bond lengths are 2.75 Å. Al is bonded to six equivalent Ti and four equivalent Ta atoms to form a mixture of distorted corner and face-sharing AlTa4Ti6 tetrahedra.},
doi = {10.17188/1279177},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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