Materials Data on HPbI3 by Materials Project

doi:10.17188/1305229

Title: Materials Data on HPbI3 by Materials Project

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Abstract

HPbI3 is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional and consists of three hydrogen molecules and one PbI3 framework. In the PbI3 framework, Pb2+ is bonded to six equivalent I1- atoms to form corner-sharing PbI6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (3.11 Å) and three longer (3.12 Å) Pb–I bond lengths. I1- is bonded in a linear geometry to two equivalent Pb2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-1004524

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; HPbI3; H-I-Pb

OSTI Identifier:: 1305229

DOI:: https://doi.org/10.17188/1305229

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                    The Materials Project. Materials Data on HPbI3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1305229.

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                    The Materials Project. Materials Data on HPbI3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1305229

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                    The Materials Project. 2020.  
"Materials Data on HPbI3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1305229.  https://www.osti.gov/servlets/purl/1305229. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1305229,

  title        = {Materials Data on HPbI3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HPbI3 is (Cubic) Perovskite structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional and consists of three hydrogen molecules and one PbI3 framework. In the PbI3 framework, Pb2+ is bonded to six equivalent I1- atoms to form corner-sharing PbI6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (3.11 Å) and three longer (3.12 Å) Pb–I bond lengths. I1- is bonded in a linear geometry to two equivalent Pb2+ atoms.},

  doi          = {10.17188/1305229},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1305229

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