Skip to main content
U.S. Department of Energy
Office of Scientific and Technical Information

Materials Data on Mo2W(SeS2)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1356036· OSTI ID:1356036
WSe2(MoS2)2 is Molybdenite-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of two MoS2 sheets oriented in the (0, 0, 1) direction and one WSe2 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 2.43 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Mo+4.50+ atoms. In the WSe2 sheet, W3+ is bonded to six equivalent Se2- atoms to form distorted edge-sharing WSe6 pentagonal pyramids. All W–Se bond lengths are 2.54 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent W3+ atoms.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1356036
Report Number(s):
mp-1025896
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on Mo2W(SeS2)2 by Materials Project
Dataset · Wed Jul 22 00:00:00 EDT 2020 · OSTI ID:1356396

Materials Data on Mo2W(Se2S)2 by Materials Project
Dataset · Mon Jul 20 00:00:00 EDT 2020 · OSTI ID:1356067

Materials Data on Mo2W(Se2S)2 by Materials Project
Dataset · Wed Jul 22 00:00:00 EDT 2020 · OSTI ID:1355993