Materials Data on EuZnGe by Materials Project

doi:10.17188/1350293

Title: Materials Data on EuZnGe by Materials Project

Abstract

EuZnGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Eu is bonded to six equivalent Zn and six equivalent Ge atoms to form a mixture of edge and face-sharing EuZn6Ge6 cuboctahedra. All Eu–Zn bond lengths are 3.32 Å. All Eu–Ge bond lengths are 3.33 Å. Zn is bonded in a 9-coordinate geometry to six equivalent Eu and three equivalent Zn atoms. All Zn–Zn bond lengths are 2.56 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Eu and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.56 Å.

Publication Date:: 2020-07-23

Other Number(s):: mp-1018703

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; EuZnGe; Eu-Ge-Zn

OSTI Identifier:: 1350293

DOI:: 10.17188/1350293

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                    The Materials Project. Materials Data on EuZnGe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1350293.

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                    The Materials Project. Materials Data on EuZnGe by Materials Project.  United States.  doi:10.17188/1350293.

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                    The Materials Project. 2020.  
"Materials Data on EuZnGe by Materials Project".  United States.  doi:10.17188/1350293.  https://www.osti.gov/servlets/purl/1350293. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1350293,

  title        = {Materials Data on EuZnGe by Materials Project},

  author       = {The Materials Project},

  abstractNote = {EuZnGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Eu is bonded to six equivalent Zn and six equivalent Ge atoms to form a mixture of edge and face-sharing EuZn6Ge6 cuboctahedra. All Eu–Zn bond lengths are 3.32 Å. All Eu–Ge bond lengths are 3.33 Å. Zn is bonded in a 9-coordinate geometry to six equivalent Eu and three equivalent Zn atoms. All Zn–Zn bond lengths are 2.56 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Eu and three equivalent Ge atoms. All Ge–Ge bond lengths are 2.56 Å.},

  doi          = {10.17188/1350293},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: 10.17188/1350293

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The Materials Project

Harnessing the power of supercomputing and state of the art electronic structure methods, the Materials Project provides open web-based access to computed information on known and predicted materials as well as powerful analysis tools to inspire and design novel materials. Experimental research can be targeted to the most promising compounds from computational data sets. Supercomputing clusters at national laboratories provide the infrastructure that enables computations, data, and algorithms to run at unparalleled speed. Researchers are be able to data-mine scientific trends in materials properties. By providing materials researchers with the information they need to design better, the Materials Project aimsmore »

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Materials Data on EuZnGe by Materials Project

Dataset The Materials Project

EuZnGe crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Eu is bonded to six equivalent Zn and six equivalent Ge atoms to form a mixture of edge and face-sharing EuZn6Ge6 cuboctahedra. All Eu–Zn bond lengths are 3.34 Å. All Eu–Ge bond lengths are 3.34 Å. Zn is bonded in a distorted trigonal planar geometry to six equivalent Eu and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.48 Å. Ge is bonded in a distorted trigonal planar geometry to six equivalent Eu and three equivalent Zn atoms.
Materials Data on EuZnGe by Materials Project

Dataset The Materials Project

EuZnGe is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu is bonded to six equivalent Zn and six equivalent Ge atoms to form a mixture of face and edge-sharing EuZn6Ge6 cuboctahedra. All Eu–Zn bond lengths are 3.29 Å. All Eu–Ge bond lengths are 3.29 Å. Zn is bonded in a distorted trigonal planar geometry to six equivalent Eu and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.51 Å. Ge is bonded in a distorted trigonal planar geometry to six equivalent Eu and three equivalent Zn atoms.
Materials Data on EuZnGe by Materials Project

Dataset The Materials Project

EuZnGe crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Zn and eight equivalent Ge atoms to form a mixture of edge and face-sharing EuZn4Ge8 cuboctahedra. All Eu–Zn bond lengths are 3.31 Å. All Eu–Ge bond lengths are 3.31 Å. In the second Eu site, Eu is bonded to eight equivalent Zn and four equivalent Ge atoms to form a mixture of edge and face-sharing EuZn8Ge4 cuboctahedra. All Eu–Zn bond lengths are 3.31 Å. All Eu–Ge bond lengths are 3.30 Å.more »« less
Materials Data on EuZnGe by Materials Project

Dataset The Materials Project

EuZnGe crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Eu is bonded to six equivalent Zn and six equivalent Ge atoms to form a mixture of edge and face-sharing EuZn6Ge6 cuboctahedra. All Eu–Zn bond lengths are 3.41 Å. There are four shorter (3.26 Å) and two longer (3.31 Å) Eu–Ge bond lengths. Zn is bonded in a 1-coordinate geometry to six equivalent Eu, two equivalent Zn, and one Ge atom. Both Zn–Zn bond lengths are 2.45 Å. The Zn–Ge bond length is 2.51 Å. Ge is bonded in a 1-coordinate geometry to six equivalent Eu, one Zn,more »« less
Materials Data on EuZnGe by Materials Project

Dataset The Materials Project

EuZnGe crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Ge atoms. There are three shorter (3.12 Å) and three longer (3.35 Å) Eu–Zn bond lengths. There are three shorter (3.09 Å) and three longer (3.39 Å) Eu–Ge bond lengths. Zn is bonded in a 3-coordinate geometry to six equivalent Eu and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.64 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Eu and three equivalent Zn atoms.

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Research Org:	Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Argonne National Lab. (ANL), Argonne, IL (United States); University of Califorinia San Diego Supercomputing Center (SDSC), San Diego, CA (United States)
Sponsoring Org:	USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR); USDOE Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office (EE-3V)