Materials Data on Bi2Pt by Materials Project

doi:10.17188/1275166

Title: Materials Data on Bi2Pt by Materials Project

Abstract

Bi2Pt is Calaverite structured and crystallizes in the trigonal P-3 space group. The structure is two-dimensional and consists of one Bi2Pt sheet oriented in the (0, 0, 1) direction. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to six equivalent Bi1+ atoms to form edge-sharing PtBi6 octahedra. There are three shorter (2.79 Å) and three longer (2.80 Å) Pt–Bi bond lengths. In the second Pt2- site, Pt2- is bonded to six equivalent Bi1+ atoms to form edge-sharing PtBi6 octahedra. All Pt–Bi bond lengths are 2.79 Å. Bi1+ is bonded in a distorted T-shaped geometry to three Pt2- atoms.

Publication Date:: 2020-07-16

Other Number(s):: mp-569581

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; Bi2Pt; Bi-Pt

OSTI Identifier:: 1275166

DOI:: 10.17188/1275166

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                    The Materials Project. Materials Data on Bi2Pt by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1275166.

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                    The Materials Project. Materials Data on Bi2Pt by Materials Project.  United States.  doi:10.17188/1275166.

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                    The Materials Project. 2020.  
"Materials Data on Bi2Pt by Materials Project".  United States.  doi:10.17188/1275166.  https://www.osti.gov/servlets/purl/1275166. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1275166,

  title        = {Materials Data on Bi2Pt by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Bi2Pt is Calaverite structured and crystallizes in the trigonal P-3 space group. The structure is two-dimensional and consists of one Bi2Pt sheet oriented in the (0, 0, 1) direction. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to six equivalent Bi1+ atoms to form edge-sharing PtBi6 octahedra. There are three shorter (2.79 Å) and three longer (2.80 Å) Pt–Bi bond lengths. In the second Pt2- site, Pt2- is bonded to six equivalent Bi1+ atoms to form edge-sharing PtBi6 octahedra. All Pt–Bi bond lengths are 2.79 Å. Bi1+ is bonded in a distorted T-shaped geometry to three Pt2- atoms.},

  doi          = {10.17188/1275166},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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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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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)