skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on ScPd3C by Materials Project

Abstract

ScPd3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Pd atoms to form ScPd12 cuboctahedra that share corners with twelve equivalent ScPd12 cuboctahedra, faces with six equivalent ScPd12 cuboctahedra, and faces with eight equivalent CPd6 octahedra. All Sc–Pd bond lengths are 2.98 Å. Pd is bonded in a distorted linear geometry to four equivalent Sc and two equivalent C atoms. Both Pd–C bond lengths are 2.11 Å. C is bonded to six equivalent Pd atoms to form CPd6 octahedra that share corners with six equivalent CPd6 octahedra and faces with eight equivalent ScPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1018635
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; ScPd3C; C-Pd-Sc
OSTI Identifier:
1350280
DOI:
10.17188/1350280

Citation Formats

The Materials Project. Materials Data on ScPd3C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1350280.
The Materials Project. Materials Data on ScPd3C by Materials Project. United States. doi:10.17188/1350280.
The Materials Project. 2020. "Materials Data on ScPd3C by Materials Project". United States. doi:10.17188/1350280. https://www.osti.gov/servlets/purl/1350280. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1350280,
title = {Materials Data on ScPd3C by Materials Project},
author = {The Materials Project},
abstractNote = {ScPd3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Pd atoms to form ScPd12 cuboctahedra that share corners with twelve equivalent ScPd12 cuboctahedra, faces with six equivalent ScPd12 cuboctahedra, and faces with eight equivalent CPd6 octahedra. All Sc–Pd bond lengths are 2.98 Å. Pd is bonded in a distorted linear geometry to four equivalent Sc and two equivalent C atoms. Both Pd–C bond lengths are 2.11 Å. C is bonded to six equivalent Pd atoms to form CPd6 octahedra that share corners with six equivalent CPd6 octahedra and faces with eight equivalent ScPd12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1350280},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: