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Title: Materials Data on Ca3P2 by Materials Project

Abstract

Ca3P2 is High-temperature superconductor-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one phosphine molecule and one Ca3P framework. In the Ca3P framework, Ca2+ is bonded in a linear geometry to two equivalent P3- atoms. Both Ca–P bond lengths are 2.65 Å. P3- is bonded to six equivalent Ca2+ atoms to form corner-sharing PCa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1013547
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; Ca3P2; Ca-P
OSTI Identifier:
1330026
DOI:
https://doi.org/10.17188/1330026

Citation Formats

The Materials Project. Materials Data on Ca3P2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1330026.
The Materials Project. Materials Data on Ca3P2 by Materials Project. United States. doi:https://doi.org/10.17188/1330026
The Materials Project. 2020. "Materials Data on Ca3P2 by Materials Project". United States. doi:https://doi.org/10.17188/1330026. https://www.osti.gov/servlets/purl/1330026. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1330026,
title = {Materials Data on Ca3P2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca3P2 is High-temperature superconductor-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one phosphine molecule and one Ca3P framework. In the Ca3P framework, Ca2+ is bonded in a linear geometry to two equivalent P3- atoms. Both Ca–P bond lengths are 2.65 Å. P3- is bonded to six equivalent Ca2+ atoms to form corner-sharing PCa6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1330026},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}