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Title: Materials Data on P2H6C4N2Cl2O (SG:2) by Materials Project

Abstract

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Creator(s)/Author(s):
Publication Date:
Other Number(s):
mp-557379
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; C4 Cl2 H6 N2 O1 P2; C-Cl-H-N-O-P; ICSD-163119; electronic bandstructure
OSTI Identifier:
1269811
DOI:
10.17188/1269811

Citation Formats

Persson, Kristin. Materials Data on P2H6C4N2Cl2O (SG:2) by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1269811.
Persson, Kristin. Materials Data on P2H6C4N2Cl2O (SG:2) by Materials Project. United States. doi:10.17188/1269811.
Persson, Kristin. 2014. "Materials Data on P2H6C4N2Cl2O (SG:2) by Materials Project". United States. doi:10.17188/1269811. https://www.osti.gov/servlets/purl/1269811. Pub date:Wed Jul 09 00:00:00 EDT 2014
@article{osti_1269811,
title = {Materials Data on P2H6C4N2Cl2O (SG:2) by Materials Project},
author = {Persson, Kristin},
abstractNote = {Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations},
doi = {10.17188/1269811},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {7}
}

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