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Title: Materials Data on CsPbBr3 by Materials Project

Abstract

CsPbBr3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with eight equivalent PbBr6 octahedra. All Cs–Br bond lengths are 4.25 Å. Pb2+ is bonded to six equivalent Br1- atoms to form PbBr6 octahedra that share corners with six equivalent PbBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–Br bond lengths are 3.01 Å. Br1- is bonded to four equivalent Cs1+ and two equivalent Pb2+ atoms to form a mixture of distorted face, edge, and corner-sharing BrCs4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Publication Date:
Other Number(s):
mp-600089
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; CsPbBr3; Br-Cs-Pb
OSTI Identifier:
1272881
DOI:
10.17188/1272881

Citation Formats

The Materials Project. Materials Data on CsPbBr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272881.
The Materials Project. Materials Data on CsPbBr3 by Materials Project. United States. doi:10.17188/1272881.
The Materials Project. 2020. "Materials Data on CsPbBr3 by Materials Project". United States. doi:10.17188/1272881. https://www.osti.gov/servlets/purl/1272881. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1272881,
title = {Materials Data on CsPbBr3 by Materials Project},
author = {The Materials Project},
abstractNote = {CsPbBr3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Br1- atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent CsBr12 cuboctahedra, faces with six equivalent CsBr12 cuboctahedra, and faces with eight equivalent PbBr6 octahedra. All Cs–Br bond lengths are 4.25 Å. Pb2+ is bonded to six equivalent Br1- atoms to form PbBr6 octahedra that share corners with six equivalent PbBr6 octahedra and faces with eight equivalent CsBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pb–Br bond lengths are 3.01 Å. Br1- is bonded to four equivalent Cs1+ and two equivalent Pb2+ atoms to form a mixture of distorted face, edge, and corner-sharing BrCs4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1272881},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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