Materials Data on Co2P by Materials Project

doi:10.17188/1197421

Title: Materials Data on Co2P by Materials Project

Abstract

Co2P is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Co+1.50+ sites. In the first Co+1.50+ site, Co+1.50+ is bonded in a 5-coordinate geometry to five equivalent P3- atoms. There are a spread of Co–P bond distances ranging from 2.26–2.54 Å. In the second Co+1.50+ site, Co+1.50+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.15–2.22 Å. P3- is bonded in a 9-coordinate geometry to nine Co+1.50+ atoms.

Publication Date:: 2020-07-16

Other Number(s):: mp-22204

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; Co2P; Co-P

OSTI Identifier:: 1197421

DOI:: https://doi.org/10.17188/1197421

Citation Formats


                    The Materials Project. Materials Data on Co2P by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1197421.

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                    The Materials Project. Materials Data on Co2P by Materials Project.  United States.  doi:https://doi.org/10.17188/1197421

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                    The Materials Project. 2020.  
"Materials Data on Co2P by Materials Project".  United States.  doi:https://doi.org/10.17188/1197421.  https://www.osti.gov/servlets/purl/1197421. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1197421,

  title        = {Materials Data on Co2P by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Co2P is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Co+1.50+ sites. In the first Co+1.50+ site, Co+1.50+ is bonded in a 5-coordinate geometry to five equivalent P3- atoms. There are a spread of Co–P bond distances ranging from 2.26–2.54 Å. In the second Co+1.50+ site, Co+1.50+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.15–2.22 Å. P3- is bonded in a 9-coordinate geometry to nine Co+1.50+ atoms.},

  doi          = {10.17188/1197421},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1197421

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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)