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Title: Materials Data on BaHfMo by Materials Project

Abstract

BaHfMo is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba is bonded to four equivalent Mo atoms to form distorted BaMo4 tetrahedra that share corners with four equivalent HfMo4 tetrahedra, corners with twelve equivalent BaMo4 tetrahedra, and edges with six equivalent HfMo4 tetrahedra. All Ba–Mo bond lengths are 2.99 Å. Hf is bonded to four equivalent Mo atoms to form distorted HfMo4 tetrahedra that share corners with four equivalent BaMo4 tetrahedra, corners with twelve equivalent HfMo4 tetrahedra, and edges with six equivalent BaMo4 tetrahedra. All Hf–Mo bond lengths are 2.99 Å. Mo is bonded in a body-centered cubic geometry to four equivalent Ba and four equivalent Hf atoms.

Publication Date:
Other Number(s):
mp-631521
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; BaHfMo; Ba-Hf-Mo
OSTI Identifier:
1279210
DOI:
10.17188/1279210

Citation Formats

The Materials Project. Materials Data on BaHfMo by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279210.
The Materials Project. Materials Data on BaHfMo by Materials Project. United States. doi:10.17188/1279210.
The Materials Project. 2020. "Materials Data on BaHfMo by Materials Project". United States. doi:10.17188/1279210. https://www.osti.gov/servlets/purl/1279210. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1279210,
title = {Materials Data on BaHfMo by Materials Project},
author = {The Materials Project},
abstractNote = {BaHfMo is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba is bonded to four equivalent Mo atoms to form distorted BaMo4 tetrahedra that share corners with four equivalent HfMo4 tetrahedra, corners with twelve equivalent BaMo4 tetrahedra, and edges with six equivalent HfMo4 tetrahedra. All Ba–Mo bond lengths are 2.99 Å. Hf is bonded to four equivalent Mo atoms to form distorted HfMo4 tetrahedra that share corners with four equivalent BaMo4 tetrahedra, corners with twelve equivalent HfMo4 tetrahedra, and edges with six equivalent BaMo4 tetrahedra. All Hf–Mo bond lengths are 2.99 Å. Mo is bonded in a body-centered cubic geometry to four equivalent Ba and four equivalent Hf atoms.},
doi = {10.17188/1279210},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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