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Title: Materials Data on Mo2WS6 by Materials Project

Abstract

WS2(MoS2)2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of two MoS2 sheets oriented in the (0, 0, 1) direction and one WS2 sheet oriented in the (0, 0, 1) direction. In each MoS2 sheet, Mo+4.50+ is bonded to six equivalent S2- atoms to form distorted edge-sharing MoS6 pentagonal pyramids. All Mo–S bond lengths are 2.42 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Mo+4.50+ atoms. In the WS2 sheet, W3+ is bonded to six equivalent S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.42 Å. S2- is bonded in a 3-coordinate geometry to three equivalent W3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1025922
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mo2WS6; Mo-S-W
OSTI Identifier:
1356391
DOI:
https://doi.org/10.17188/1356391

Citation Formats

The Materials Project. Materials Data on Mo2WS6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1356391.
The Materials Project. Materials Data on Mo2WS6 by Materials Project. United States. doi:https://doi.org/10.17188/1356391
The Materials Project. 2020. "Materials Data on Mo2WS6 by Materials Project". United States. doi:https://doi.org/10.17188/1356391. https://www.osti.gov/servlets/purl/1356391. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1356391,
title = {Materials Data on Mo2WS6 by Materials Project},
author = {The Materials Project},
abstractNote = {WS2(MoS2)2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of two MoS2 sheets oriented in the (0, 0, 1) direction and one WS2 sheet oriented in the (0, 0, 1) direction. In each MoS2 sheet, Mo+4.50+ is bonded to six equivalent S2- atoms to form distorted edge-sharing MoS6 pentagonal pyramids. All Mo–S bond lengths are 2.42 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Mo+4.50+ atoms. In the WS2 sheet, W3+ is bonded to six equivalent S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.42 Å. S2- is bonded in a 3-coordinate geometry to three equivalent W3+ atoms.},
doi = {10.17188/1356391},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}