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

Title: Materials Data on Te2Mo3WSe6 by Materials Project

Abstract

WTe2(MoSe2)3 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of three MoSe2 sheets oriented in the (0, 0, 1) direction and one WTe2 sheet oriented in the (0, 0, 1) direction. In each MoSe2 sheet, Mo+4.67+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing MoSe6 pentagonal pyramids. All Mo–Se bond lengths are 2.56 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Mo+4.67+ atoms. In the WTe2 sheet, W2+ is bonded to six Te2- atoms to form distorted edge-sharing WTe6 pentagonal pyramids. All W–Te bond lengths are 2.72 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent W2+ atoms. In the second Te2- site, Te2- is bonded in a 12-coordinate geometry to three equivalent W2+ atoms.

Publication Date:
Other Number(s):
mp-1027658
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; Te2Mo3WSe6; Mo-Se-Te-W
OSTI Identifier:
1405616
DOI:
10.17188/1405616

Citation Formats

The Materials Project. Materials Data on Te2Mo3WSe6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1405616.
The Materials Project. Materials Data on Te2Mo3WSe6 by Materials Project. United States. doi:10.17188/1405616.
The Materials Project. 2020. "Materials Data on Te2Mo3WSe6 by Materials Project". United States. doi:10.17188/1405616. https://www.osti.gov/servlets/purl/1405616. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1405616,
title = {Materials Data on Te2Mo3WSe6 by Materials Project},
author = {The Materials Project},
abstractNote = {WTe2(MoSe2)3 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of three MoSe2 sheets oriented in the (0, 0, 1) direction and one WTe2 sheet oriented in the (0, 0, 1) direction. In each MoSe2 sheet, Mo+4.67+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing MoSe6 pentagonal pyramids. All Mo–Se bond lengths are 2.56 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Mo+4.67+ atoms. In the WTe2 sheet, W2+ is bonded to six Te2- atoms to form distorted edge-sharing WTe6 pentagonal pyramids. All W–Te bond lengths are 2.72 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent W2+ atoms. In the second Te2- site, Te2- is bonded in a 12-coordinate geometry to three equivalent W2+ atoms.},
doi = {10.17188/1405616},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: