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Materials Data on InAgSe2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1195704· OSTI ID:1195704
AgInSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Se2- atoms to form AgSe4 tetrahedra that share corners with four equivalent AgSe4 tetrahedra and corners with eight equivalent InSe4 tetrahedra. All Ag–Se bond lengths are 2.68 Å. In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent InSe4 tetrahedra and corners with eight equivalent AgSe4 tetrahedra. All In–Se bond lengths are 2.65 Å. Se2- is bonded to two equivalent Ag1+ and two equivalent In3+ atoms to form corner-sharing SeIn2Ag2 tetrahedra.
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:
1195704
Report Number(s):
mp-20554
Country of Publication:
United States
Language:
English

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