Materials Data on Ti3Ni by Materials Project

doi:10.17188/1272819

Title: Materials Data on Ti3Ni by Materials Project

Abstract

Ti3Ni is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Ni atoms to form TiTi8Ni4 cuboctahedra that share corners with twelve equivalent TiTi8Ni4 cuboctahedra, edges with eight equivalent NiTi12 cuboctahedra, edges with sixteen equivalent TiTi8Ni4 cuboctahedra, faces with four equivalent NiTi12 cuboctahedra, and faces with fourteen equivalent TiTi8Ni4 cuboctahedra. All Ti–Ti bond lengths are 2.78 Å. All Ti–Ni bond lengths are 2.78 Å. Ni is bonded to twelve equivalent Ti atoms to form NiTi12 cuboctahedra that share corners with twelve equivalent NiTi12 cuboctahedra, edges with twenty-four equivalent TiTi8Ni4 cuboctahedra, faces with six equivalent NiTi12 cuboctahedra, and faces with twelve equivalent TiTi8Ni4 cuboctahedra.

Publication Date:: 2020-07-24

Other Number(s):: mp-981209

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; Ti3Ni; Ni-Ti

OSTI Identifier:: 1272819

DOI:: 10.17188/1272819

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                    The Materials Project. Materials Data on Ti3Ni by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1272819.

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                    The Materials Project. Materials Data on Ti3Ni by Materials Project.  United States.  doi:10.17188/1272819.

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                    The Materials Project. 2020.  
"Materials Data on Ti3Ni by Materials Project".  United States.  doi:10.17188/1272819.  https://www.osti.gov/servlets/purl/1272819. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1272819,

  title        = {Materials Data on Ti3Ni by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ti3Ni is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Ni atoms to form TiTi8Ni4 cuboctahedra that share corners with twelve equivalent TiTi8Ni4 cuboctahedra, edges with eight equivalent NiTi12 cuboctahedra, edges with sixteen equivalent TiTi8Ni4 cuboctahedra, faces with four equivalent NiTi12 cuboctahedra, and faces with fourteen equivalent TiTi8Ni4 cuboctahedra. All Ti–Ti bond lengths are 2.78 Å. All Ti–Ni bond lengths are 2.78 Å. Ni is bonded to twelve equivalent Ti atoms to form NiTi12 cuboctahedra that share corners with twelve equivalent NiTi12 cuboctahedra, edges with twenty-four equivalent TiTi8Ni4 cuboctahedra, faces with six equivalent NiTi12 cuboctahedra, and faces with twelve equivalent TiTi8Ni4 cuboctahedra.},

  doi          = {10.17188/1272819},

  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)