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Title: Materials Data on Ag3As by Materials Project

Abstract

Ag3As is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag1+ is bonded to eight equivalent Ag1+ and four equivalent As3- atoms to form AgAg8As4 cuboctahedra that share corners with four equivalent AsAg12 cuboctahedra, corners with fourteen equivalent AgAg8As4 cuboctahedra, edges with six equivalent AsAg12 cuboctahedra, edges with twelve equivalent AgAg8As4 cuboctahedra, faces with four equivalent AsAg12 cuboctahedra, and faces with sixteen equivalent AgAg8As4 cuboctahedra. There are four shorter (2.95 Å) and four longer (2.97 Å) Ag–Ag bond lengths. There are two shorter (2.95 Å) and two longer (2.97 Å) Ag–As bond lengths. As3- is bonded to twelve equivalent Ag1+ atoms to form AsAg12 cuboctahedra that share corners with six equivalent AsAg12 cuboctahedra, corners with twelve equivalent AgAg8As4 cuboctahedra, edges with eighteen equivalent AgAg8As4 cuboctahedra, faces with eight equivalent AsAg12 cuboctahedra, and faces with twelve equivalent AgAg8As4 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-1183193
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ag3As; Ag-As
OSTI Identifier:
1688084
DOI:
https://doi.org/10.17188/1688084

Citation Formats

The Materials Project. Materials Data on Ag3As by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1688084.
The Materials Project. Materials Data on Ag3As by Materials Project. United States. doi:https://doi.org/10.17188/1688084
The Materials Project. 2020. "Materials Data on Ag3As by Materials Project". United States. doi:https://doi.org/10.17188/1688084. https://www.osti.gov/servlets/purl/1688084. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1688084,
title = {Materials Data on Ag3As by Materials Project},
author = {The Materials Project},
abstractNote = {Ag3As is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag1+ is bonded to eight equivalent Ag1+ and four equivalent As3- atoms to form AgAg8As4 cuboctahedra that share corners with four equivalent AsAg12 cuboctahedra, corners with fourteen equivalent AgAg8As4 cuboctahedra, edges with six equivalent AsAg12 cuboctahedra, edges with twelve equivalent AgAg8As4 cuboctahedra, faces with four equivalent AsAg12 cuboctahedra, and faces with sixteen equivalent AgAg8As4 cuboctahedra. There are four shorter (2.95 Å) and four longer (2.97 Å) Ag–Ag bond lengths. There are two shorter (2.95 Å) and two longer (2.97 Å) Ag–As bond lengths. As3- is bonded to twelve equivalent Ag1+ atoms to form AsAg12 cuboctahedra that share corners with six equivalent AsAg12 cuboctahedra, corners with twelve equivalent AgAg8As4 cuboctahedra, edges with eighteen equivalent AgAg8As4 cuboctahedra, faces with eight equivalent AsAg12 cuboctahedra, and faces with twelve equivalent AgAg8As4 cuboctahedra.},
doi = {10.17188/1688084},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}