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

Materials Data on Te2Mo3Se4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1356053· OSTI ID:1356053
MoTe2(MoSe2)2 is Molybdenite-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of two MoSe2 sheets oriented in the (0, 0, 1) direction and one MoTe2 sheet oriented in the (0, 0, 1) direction. In each MoSe2 sheet, Mo4+ 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 Mo4+ atoms. In the MoTe2 sheet, Mo4+ is bonded to six equivalent Te2- atoms to form distorted edge-sharing MoTe6 pentagonal pyramids. All Mo–Te bond lengths are 2.71 Å. Te2- is bonded in a 12-coordinate geometry to three equivalent Mo4+ 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:
1356053
Report Number(s):
mp-1025728
Country of Publication:
United States
Language:
English

Similar Records

Materials Data on Te4Mo3Se2 by Materials Project
Dataset · Mon Jul 20 00:00:00 EDT 2020 · OSTI ID:1356003

Materials Data on TeMo2Se3 by Materials Project
Dataset · Wed Apr 29 00:00:00 EDT 2020 · OSTI ID:1405617

Materials Data on TeMoSe by Materials Project
Dataset · Thu Apr 30 00:00:00 EDT 2020 · OSTI ID:1406090