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

Title: Materials Data on HfMgO3 by Materials Project

Abstract

MgHfO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent O2- atoms to form distorted MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent HfO6 octahedra. All Mg–O bond lengths are 2.88 Å. Hf4+ is bonded to six equivalent O2- atoms to form HfO6 octahedra that share corners with six equivalent HfO6 octahedra and faces with eight equivalent MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–O bond lengths are 2.04 Å. O2- is bonded in a linear geometry to four equivalent Mg2+ and two equivalent Hf4+ atoms.

Publication Date:
Other Number(s):
mp-1016825
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; HfMgO3; Hf-Mg-O
OSTI Identifier:
1349472
DOI:
https://doi.org/10.17188/1349472

Citation Formats

The Materials Project. Materials Data on HfMgO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1349472.
The Materials Project. Materials Data on HfMgO3 by Materials Project. United States. doi:https://doi.org/10.17188/1349472
The Materials Project. 2020. "Materials Data on HfMgO3 by Materials Project". United States. doi:https://doi.org/10.17188/1349472. https://www.osti.gov/servlets/purl/1349472. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1349472,
title = {Materials Data on HfMgO3 by Materials Project},
author = {The Materials Project},
abstractNote = {MgHfO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent O2- atoms to form distorted MgO12 cuboctahedra that share corners with twelve equivalent MgO12 cuboctahedra, faces with six equivalent MgO12 cuboctahedra, and faces with eight equivalent HfO6 octahedra. All Mg–O bond lengths are 2.88 Å. Hf4+ is bonded to six equivalent O2- atoms to form HfO6 octahedra that share corners with six equivalent HfO6 octahedra and faces with eight equivalent MgO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–O bond lengths are 2.04 Å. O2- is bonded in a linear geometry to four equivalent Mg2+ and two equivalent Hf4+ atoms.},
doi = {10.17188/1349472},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}