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Title: Materials Data on CuHClO (SG:14) 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-696956
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; Cl1 Cu1 H1 O1; Cl-Cu-H-O; ICSD-38384; electronic bandstructure
OSTI Identifier:
1285072
DOI:
10.17188/1285072

Citation Formats

Persson, Kristin. Materials Data on CuHClO (SG:14) by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1285072.
Persson, Kristin. Materials Data on CuHClO (SG:14) by Materials Project. United States. doi:10.17188/1285072.
Persson, Kristin. 2016. "Materials Data on CuHClO (SG:14) by Materials Project". United States. doi:10.17188/1285072. https://www.osti.gov/servlets/purl/1285072. Pub date:Thu Feb 11 00:00:00 EST 2016
@article{osti_1285072,
title = {Materials Data on CuHClO (SG:14) 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 = {10.17188/1285072},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {2}
}

Dataset:

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