Title: Materials Data on Sc3AlC by Materials Project

Abstract

AlCSc3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Sc–Al bond lengths are 3.19 Å. Both Sc–C bond lengths are 2.26 Å. Al is bonded to twelve equivalent Sc atoms to form AlSc12 cuboctahedra that share corners with twelve equivalent AlSc12 cuboctahedra, faces with six equivalent AlSc12 cuboctahedra, and faces with eight equivalent CSc6 octahedra. C is bonded to six equivalent Sc atoms to form CSc6 octahedra that share corners with six equivalent CSc6 octahedra and faces with eight equivalent AlSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-4079
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Al-C-Sc; crystal structure; Sc3AlC
OSTI Identifier:
1207828
DOI:
https://doi.org/10.17188/1207828

Citation Formats

Materials Data on Sc3AlC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207828.
Copy to clipboard
Materials Data on Sc3AlC by Materials Project. United States. doi:https://doi.org/10.17188/1207828
Copy to clipboard
2020. "Materials Data on Sc3AlC by Materials Project". United States. doi:https://doi.org/10.17188/1207828. https://www.osti.gov/servlets/purl/1207828. Pub date:Wed Jul 15 20:00:00 EDT 2020
Copy to clipboard
@article{osti_1207828,
title = {Materials Data on Sc3AlC by Materials Project},
abstractNote = {AlCSc3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded in a linear geometry to four equivalent Al and two equivalent C atoms. All Sc–Al bond lengths are 3.19 Å. Both Sc–C bond lengths are 2.26 Å. Al is bonded to twelve equivalent Sc atoms to form AlSc12 cuboctahedra that share corners with twelve equivalent AlSc12 cuboctahedra, faces with six equivalent AlSc12 cuboctahedra, and faces with eight equivalent CSc6 octahedra. C is bonded to six equivalent Sc atoms to form CSc6 octahedra that share corners with six equivalent CSc6 octahedra and faces with eight equivalent AlSc12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1207828},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
Copy to clipboard
Dataset:
View Dataset
DOI: https://doi.org/10.17188/1207828
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Similar records in DOE Data Explorer and OSTI.GOV collections: