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Title: Materials Data on NbSeS by Materials Project

Abstract

NbSeS is Molybdenite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two NbSeS sheets oriented in the (0, 0, 1) direction. Nb4+ is bonded to three equivalent Se2- and three equivalent S2- atoms to form distorted edge-sharing NbSe3S3 pentagonal pyramids. All Nb–Se bond lengths are 2.63 Å. All Nb–S bond lengths are 2.48 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Nb4+ atoms. S2- is bonded in a distorted T-shaped geometry to three equivalent Nb4+ atoms.

Publication Date:
Other Number(s):
mp-1220413
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; NbSeS; Nb-S-Se
OSTI Identifier:
1748949
DOI:
https://doi.org/10.17188/1748949

Citation Formats

The Materials Project. Materials Data on NbSeS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748949.
The Materials Project. Materials Data on NbSeS by Materials Project. United States. doi:https://doi.org/10.17188/1748949
The Materials Project. 2020. "Materials Data on NbSeS by Materials Project". United States. doi:https://doi.org/10.17188/1748949. https://www.osti.gov/servlets/purl/1748949. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1748949,
title = {Materials Data on NbSeS by Materials Project},
author = {The Materials Project},
abstractNote = {NbSeS is Molybdenite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two NbSeS sheets oriented in the (0, 0, 1) direction. Nb4+ is bonded to three equivalent Se2- and three equivalent S2- atoms to form distorted edge-sharing NbSe3S3 pentagonal pyramids. All Nb–Se bond lengths are 2.63 Å. All Nb–S bond lengths are 2.48 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Nb4+ atoms. S2- is bonded in a distorted T-shaped geometry to three equivalent Nb4+ atoms.},
doi = {10.17188/1748949},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}