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Title: Materials Data on NbSe2 by Materials Project

Abstract

NbSe2 is Molybdenite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two NbSe2 sheets oriented in the (0, 0, 1) direction. Nb4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing NbSe6 pentagonal pyramids. All Nb–Se bond lengths are 2.63 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Nb4+ atoms.

Publication Date:
Other Number(s):
mp-2207
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; NbSe2; Nb-Se
OSTI Identifier:
1197331
DOI:
https://doi.org/10.17188/1197331

Citation Formats

The Materials Project. Materials Data on NbSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197331.
The Materials Project. Materials Data on NbSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1197331
The Materials Project. 2020. "Materials Data on NbSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1197331. https://www.osti.gov/servlets/purl/1197331. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1197331,
title = {Materials Data on NbSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {NbSe2 is Molybdenite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two NbSe2 sheets oriented in the (0, 0, 1) direction. Nb4+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing NbSe6 pentagonal pyramids. All Nb–Se bond lengths are 2.63 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Nb4+ atoms.},
doi = {10.17188/1197331},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}