skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on NbBW by Materials Project

Abstract

NbWB is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nb is bonded in a body-centered cubic geometry to four equivalent W and four equivalent B atoms. All Nb–W bond lengths are 2.55 Å. All Nb–B bond lengths are 2.55 Å. W is bonded to four equivalent Nb and six equivalent B atoms to form distorted WNb4B6 tetrahedra that share corners with four equivalent BNb4W6 tetrahedra, corners with six equivalent WNb4B6 tetrahedra, edges with six equivalent BNb4W6 tetrahedra, and faces with twelve equivalent WNb4B6 tetrahedra. All W–B bond lengths are 2.95 Å. B is bonded to four equivalent Nb and six equivalent W atoms to form distorted BNb4W6 tetrahedra that share corners with four equivalent WNb4B6 tetrahedra, corners with six equivalent BNb4W6 tetrahedra, edges with six equivalent WNb4B6 tetrahedra, and faces with twelve equivalent BNb4W6 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-631531
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; NbBW; B-Nb-W
OSTI Identifier:
1279220
DOI:
10.17188/1279220

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NbBW by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1279220.
Persson, Kristin, & Project, Materials. Materials Data on NbBW by Materials Project. United States. doi:10.17188/1279220.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on NbBW by Materials Project". United States. doi:10.17188/1279220. https://www.osti.gov/servlets/purl/1279220. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1279220,
title = {Materials Data on NbBW by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NbWB is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nb is bonded in a body-centered cubic geometry to four equivalent W and four equivalent B atoms. All Nb–W bond lengths are 2.55 Å. All Nb–B bond lengths are 2.55 Å. W is bonded to four equivalent Nb and six equivalent B atoms to form distorted WNb4B6 tetrahedra that share corners with four equivalent BNb4W6 tetrahedra, corners with six equivalent WNb4B6 tetrahedra, edges with six equivalent BNb4W6 tetrahedra, and faces with twelve equivalent WNb4B6 tetrahedra. All W–B bond lengths are 2.95 Å. B is bonded to four equivalent Nb and six equivalent W atoms to form distorted BNb4W6 tetrahedra that share corners with four equivalent WNb4B6 tetrahedra, corners with six equivalent BNb4W6 tetrahedra, edges with six equivalent WNb4B6 tetrahedra, and faces with twelve equivalent BNb4W6 tetrahedra.},
doi = {10.17188/1279220},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

Dataset:

Save / Share: