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

Title: Materials Data on MoS2 by Materials Project

Abstract

MoS2 is Molybdenite-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three MoS2 sheets oriented in the (0, 0, 1) direction. Mo4+ 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 Mo4+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-1434
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; MoS2; Mo-S
OSTI Identifier:
1190621
DOI:
10.17188/1190621

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on MoS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190621.
Persson, Kristin, & Project, Materials. Materials Data on MoS2 by Materials Project. United States. doi:10.17188/1190621.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on MoS2 by Materials Project". United States. doi:10.17188/1190621. https://www.osti.gov/servlets/purl/1190621. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1190621,
title = {Materials Data on MoS2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {MoS2 is Molybdenite-like structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three MoS2 sheets oriented in the (0, 0, 1) direction. Mo4+ 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 Mo4+ atoms.},
doi = {10.17188/1190621},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: