Materials Data on Yb(ZnGa)2 by Materials Project

doi:10.17188/1729444

Title: Materials Data on Yb(ZnGa)2 by Materials Project

Abstract

Yb(ZnGa)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to eight equivalent Zn and eight equivalent Ga atoms. All Yb–Zn bond lengths are 3.44 Å. All Yb–Ga bond lengths are 3.21 Å. Zn is bonded to four equivalent Yb and four equivalent Ga atoms to form a mixture of distorted edge, face, and corner-sharing ZnYb4Ga4 tetrahedra. All Zn–Ga bond lengths are 2.57 Å. Ga is bonded in a 9-coordinate geometry to four equivalent Yb, four equivalent Zn, and one Ga atom. The Ga–Ga bond length is 2.47 Å.

Publication Date:: 2020-05-03

Other Number(s):: mp-1206522

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; Yb(ZnGa)2; Ga-Yb-Zn

OSTI Identifier:: 1729444

DOI:: https://doi.org/10.17188/1729444

Citation Formats


                    The Materials Project. Materials Data on Yb(ZnGa)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1729444.

Copy to clipboard


                    The Materials Project. Materials Data on Yb(ZnGa)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1729444

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Yb(ZnGa)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1729444.  https://www.osti.gov/servlets/purl/1729444. Pub date:Sun May 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1729444,

  title        = {Materials Data on Yb(ZnGa)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Yb(ZnGa)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to eight equivalent Zn and eight equivalent Ga atoms. All Yb–Zn bond lengths are 3.44 Å. All Yb–Ga bond lengths are 3.21 Å. Zn is bonded to four equivalent Yb and four equivalent Ga atoms to form a mixture of distorted edge, face, and corner-sharing ZnYb4Ga4 tetrahedra. All Zn–Ga bond lengths are 2.57 Å. Ga is bonded in a 9-coordinate geometry to four equivalent Yb, four equivalent Zn, and one Ga atom. The Ga–Ga bond length is 2.47 Å.},

  doi          = {10.17188/1729444},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1729444

Save / Share:

Export Metadata

Save to My Library

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 »

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

Materials Data on Yb(ZnGa)2 by Materials Project

Dataset The Materials Project

Yb(ZnGa)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to eight equivalent Zn and eight equivalent Ga atoms. All Yb–Zn bond lengths are 3.19 Å. All Yb–Ga bond lengths are 3.45 Å. Zn is bonded in a 9-coordinate geometry to four equivalent Yb, one Zn, and four equivalent Ga atoms. The Zn–Zn bond length is 2.43 Å. All Zn–Ga bond lengths are 2.59 Å. Ga is bonded to four equivalent Yb and four equivalent Zn atoms to form a mixture of distorted face, edge, and corner-sharing GaYb4Zn4 tetrahedra.
Materials Data on Pr(ZnGa)2 by Materials Project

Dataset The Materials Project

Pr(ZnGa)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eight equivalent Zn and eight equivalent Ga atoms. All Pr–Zn bond lengths are 3.27 Å. All Pr–Ga bond lengths are 3.43 Å. Zn is bonded in a 9-coordinate geometry to four equivalent Pr, one Zn, and four equivalent Ga atoms. The Zn–Zn bond length is 2.44 Å. All Zn–Ga bond lengths are 2.59 Å. Ga is bonded to four equivalent Pr and four equivalent Zn atoms to form a mixture of distorted edge, corner, and face-sharing GaPr4Zn4 tetrahedra.
Materials Data on Eu(ZnGa)2 by Materials Project

Dataset The Materials Project

Eu(ZnGa)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to eight equivalent Zn and eight equivalent Ga atoms. All Eu–Zn bond lengths are 3.31 Å. All Eu–Ga bond lengths are 3.45 Å. Zn is bonded in a 9-coordinate geometry to four equivalent Eu, one Zn, and four equivalent Ga atoms. The Zn–Zn bond length is 2.47 Å. All Zn–Ga bond lengths are 2.61 Å. Ga is bonded to four equivalent Eu and four equivalent Zn atoms to form a mixture of distorted corner, edge, and face-sharing GaEu4Zn4 tetrahedra.
Materials Data on Gd(ZnGa)2 by Materials Project

Dataset The Materials Project

GdZn2Ga2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to eight equivalent Zn and eight equivalent Ga atoms. All Gd–Zn bond lengths are 3.20 Å. All Gd–Ga bond lengths are 3.39 Å. Zn is bonded in a 9-coordinate geometry to four equivalent Gd, one Zn, and four equivalent Ga atoms. The Zn–Zn bond length is 2.38 Å. All Zn–Ga bond lengths are 2.56 Å. Ga is bonded to four equivalent Gd and four equivalent Zn atoms to form a mixture of distorted face, edge, and corner-sharing GaGd4Zn4 tetrahedra.
Materials Data on Sm(ZnGa)2 by Materials Project

Dataset The Materials Project

Sm(ZnGa)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eight equivalent Zn and eight equivalent Ga atoms. All Sm–Zn bond lengths are 3.42 Å. All Sm–Ga bond lengths are 3.20 Å. Zn is bonded to four equivalent Sm and four equivalent Ga atoms to form a mixture of distorted corner, edge, and face-sharing ZnSm4Ga4 tetrahedra. All Zn–Ga bond lengths are 2.56 Å. Ga is bonded in a 9-coordinate geometry to four equivalent Sm, four equivalent Zn, and one Ga atom. The Ga–Ga bond length is 2.46 Å.

Similar Records

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)