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Title: Materials Data on Nb3H12C4NCl9 (SG:164) 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

Authors:
Publication Date:
Other Number(s):
mp-569921
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; C4 Cl9 H12 N1 Nb3; C-Cl-H-N-Nb; ICSD-109713; electronic bandstructure
OSTI Identifier:
1183909
DOI:
10.17188/1183909

Citation Formats

Persson, Kristin. Materials Data on Nb3H12C4NCl9 (SG:164) by Materials Project. United States: N. p., 2015. Web. doi:10.17188/1183909.
Persson, Kristin. Materials Data on Nb3H12C4NCl9 (SG:164) by Materials Project. United States. doi:10.17188/1183909.
Persson, Kristin. 2015. "Materials Data on Nb3H12C4NCl9 (SG:164) by Materials Project". United States. doi:10.17188/1183909. https://www.osti.gov/servlets/purl/1183909. Pub date:Tue Jan 27 00:00:00 EST 2015
@article{osti_1183909,
title = {Materials Data on Nb3H12C4NCl9 (SG:164) 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 = {10.17188/1183909},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2015},
month = {1}
}

Dataset:

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