Materials Data on Al(CuRe)2 by Materials Project

doi:10.17188/1191906

Title: Materials Data on Al(CuRe)2 by Materials Project

Dataset
Other Related Research

Abstract

Al(ReCu)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Re is bonded in a 11-coordinate geometry to five equivalent Re, six equivalent Cu, and four equivalent Al atoms. There are one shorter (2.74 Å) and four longer (3.13 Å) Re–Re bond lengths. There are two shorter (2.58 Å) and four longer (2.64 Å) Re–Cu bond lengths. All Re–Al bond lengths are 2.95 Å. Cu is bonded in a 2-coordinate geometry to six equivalent Re and two equivalent Al atoms. Both Cu–Al bond lengths are 2.30 Å. Al is bonded in a square co-planar geometry to eight equivalent Re and four equivalent Cu atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-16496

DOE Contract Number:: AC02-05CH11231; EDCBEE

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)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Al(CuRe)2; Al-Cu-Re

OSTI Identifier:: 1191906

DOI:: https://doi.org/10.17188/1191906

Citation Formats


                    The Materials Project. Materials Data on Al(CuRe)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1191906.

Copy to clipboard


                    The Materials Project. Materials Data on Al(CuRe)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1191906

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Al(CuRe)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1191906.  https://www.osti.gov/servlets/purl/1191906. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1191906,

  title        = {Materials Data on Al(CuRe)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Al(ReCu)2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Re is bonded in a 11-coordinate geometry to five equivalent Re, six equivalent Cu, and four equivalent Al atoms. There are one shorter (2.74 Å) and four longer (3.13 Å) Re–Re bond lengths. There are two shorter (2.58 Å) and four longer (2.64 Å) Re–Cu bond lengths. All Re–Al bond lengths are 2.95 Å. Cu is bonded in a 2-coordinate geometry to six equivalent Re and two equivalent Al atoms. Both Cu–Al bond lengths are 2.30 Å. Al is bonded in a square co-planar geometry to eight equivalent Re and four equivalent Cu atoms.},

  doi          = {10.17188/1191906},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1191906

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Al(CoSi)2 by Materials Project

Dataset The Materials Project

Al(CoSi)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Co+2.50+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are a spread of Co–Si bond distances ranging from 2.27–2.43 Å. Al3+ is bonded in a 6-coordinate geometry to six equivalent Si4- atoms. All Al–Si bond lengths are 2.78 Å. Si4- is bonded in a 11-coordinate geometry to five equivalent Co+2.50+, three equivalent Al3+, and three equivalent Si4- atoms. All Si–Si bond lengths are 2.67 Å.
Materials Data on Al(FeB)2 by Materials Project

Dataset The Materials Project

AlFe2B2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Fe is bonded in a 10-coordinate geometry to four equivalent Al and six equivalent B atoms. All Fe–Al bond lengths are 2.60 Å. There are four shorter (2.15 Å) and two longer (2.16 Å) Fe–B bond lengths. Al is bonded in a 2-coordinate geometry to eight equivalent Fe and two equivalent B atoms. Both Al–B bond lengths are 2.27 Å. B is bonded in a 9-coordinate geometry to six equivalent Fe, one Al, and two equivalent B atoms. Both B–B bond lengths are 1.75 Å.
Materials Data on Al(Ni10B7)2 by Materials Project

Dataset The Materials Project

Ni20AlB14 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four aluminum molecules and one Ni10B7 framework. In the Ni10B7 framework, there are two inequivalent Ni+1.95+ sites. In the first Ni+1.95+ site, Ni+1.95+ is bonded in a 6-coordinate geometry to six B3- atoms. There are three shorter (2.13 Å) and three longer (2.26 Å) Ni–B bond lengths. In the second Ni+1.95+ site, Ni+1.95+ is bonded in a square co-planar geometry to four B3- atoms. There are two shorter (2.05 Å) and two longer (2.13 Å) Ni–B bond lengths. There are two inequivalent B3- sites. Inmore »« less
Materials Data on Al(TeCl2)2 by Materials Project

Dataset The Materials Project

AlCl4(Te)2 crystallizes in the orthorhombic Pbca space group. The structure is zero-dimensional and consists of four tellurium tetramer molecules and eight AlCl4 clusters. In each AlCl4 cluster, Al is bonded in a tetrahedral geometry to four Cl atoms. There are two shorter (2.14 Å) and two longer (2.19 Å) Al–Cl bond lengths. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Al atom. In the third Cl site, Cl is bonded in amore »« less
Materials Data on Al(NiO2)2 (SG:227) by Materials Project

Dataset The Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Similar Records