Materials Data on Co3Pt by Materials Project
Abstract
Co3Pt is beta-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Co sites. In the first Co site, Co is bonded to nine Co and three equivalent Pt atoms to form CoCo9Pt3 cuboctahedra that share corners with twelve equivalent CoCo9Pt3 cuboctahedra, edges with six equivalent PtCo6Pt6 cuboctahedra, edges with eighteen CoCo9Pt3 cuboctahedra, faces with six equivalent PtCo6Pt6 cuboctahedra, and faces with twelve CoCo9Pt3 cuboctahedra. There are three shorter (2.47 Å) and six longer (2.63 Å) Co–Co bond lengths. All Co–Pt bond lengths are 2.68 Å. In the second Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with six equivalent CoCo12 cuboctahedra, corners with six equivalent PtCo6Pt6 cuboctahedra, edges with six equivalent PtCo6Pt6 cuboctahedra, edges with eighteen CoCo9Pt3 cuboctahedra, and faces with eighteen CoCo9Pt3 cuboctahedra. All Co–Co bond lengths are 2.63 Å. In the third Co site, Co is bonded to nine Co and three equivalent Pt atoms to form CoCo9Pt3 cuboctahedra that share corners with seventeen CoCo9Pt3 cuboctahedra, edges with six equivalent PtCo6Pt6 cuboctahedra, edges with sixteen CoCo9Pt3 cuboctahedra, faces with six equivalent PtCo6Pt6 cuboctahedra, and faces with fifteen CoCo9Pt3 cuboctahedra. There aremore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1226450
- 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; Co3Pt; Co-Pt
- OSTI Identifier:
- 1738856
- DOI:
- https://doi.org/10.17188/1738856
Citation Formats
The Materials Project. Materials Data on Co3Pt by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738856.
The Materials Project. Materials Data on Co3Pt by Materials Project. United States. doi:https://doi.org/10.17188/1738856
The Materials Project. 2020.
"Materials Data on Co3Pt by Materials Project". United States. doi:https://doi.org/10.17188/1738856. https://www.osti.gov/servlets/purl/1738856. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1738856,
title = {Materials Data on Co3Pt by Materials Project},
author = {The Materials Project},
abstractNote = {Co3Pt is beta-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are five inequivalent Co sites. In the first Co site, Co is bonded to nine Co and three equivalent Pt atoms to form CoCo9Pt3 cuboctahedra that share corners with twelve equivalent CoCo9Pt3 cuboctahedra, edges with six equivalent PtCo6Pt6 cuboctahedra, edges with eighteen CoCo9Pt3 cuboctahedra, faces with six equivalent PtCo6Pt6 cuboctahedra, and faces with twelve CoCo9Pt3 cuboctahedra. There are three shorter (2.47 Å) and six longer (2.63 Å) Co–Co bond lengths. All Co–Pt bond lengths are 2.68 Å. In the second Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with six equivalent CoCo12 cuboctahedra, corners with six equivalent PtCo6Pt6 cuboctahedra, edges with six equivalent PtCo6Pt6 cuboctahedra, edges with eighteen CoCo9Pt3 cuboctahedra, and faces with eighteen CoCo9Pt3 cuboctahedra. All Co–Co bond lengths are 2.63 Å. In the third Co site, Co is bonded to nine Co and three equivalent Pt atoms to form CoCo9Pt3 cuboctahedra that share corners with seventeen CoCo9Pt3 cuboctahedra, edges with six equivalent PtCo6Pt6 cuboctahedra, edges with sixteen CoCo9Pt3 cuboctahedra, faces with six equivalent PtCo6Pt6 cuboctahedra, and faces with fifteen CoCo9Pt3 cuboctahedra. There are three shorter (2.47 Å) and six longer (2.63 Å) Co–Co bond lengths. All Co–Pt bond lengths are 2.68 Å. In the fourth Co site, Co is bonded to sixteen Co atoms to form CoCo16 cuboctahedra that share corners with six equivalent PtCo6Pt6 cuboctahedra, corners with sixteen CoCo9Pt3 cuboctahedra, edges with six equivalent PtCo6Pt6 cuboctahedra, edges with eighteen CoCo9Pt3 cuboctahedra, and faces with thirty-four CoCo9Pt3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.47–5.26 Å. In the fifth Co site, Co is bonded to nine Co and three equivalent Pt atoms to form CoCo9Pt3 cuboctahedra that share corners with seventeen CoCo9Pt3 cuboctahedra, edges with six equivalent PtCo6Pt6 cuboctahedra, edges with sixteen CoCo9Pt3 cuboctahedra, faces with six equivalent PtCo6Pt6 cuboctahedra, and faces with fifteen CoCo9Pt3 cuboctahedra. All Co–Co bond lengths are 2.63 Å. All Co–Pt bond lengths are 2.68 Å. Pt is bonded to six equivalent Co and six equivalent Pt atoms to form PtCo6Pt6 cuboctahedra that share corners with six equivalent CoCo12 cuboctahedra, corners with six equivalent PtCo6Pt6 cuboctahedra, edges with six equivalent PtCo6Pt6 cuboctahedra, edges with eighteen CoCo9Pt3 cuboctahedra, faces with six equivalent PtCo6Pt6 cuboctahedra, and faces with twelve equivalent CoCo9Pt3 cuboctahedra. All Pt–Pt bond lengths are 2.63 Å.},
doi = {10.17188/1738856},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}