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Title: Materials Data on Ca2CuH6(CO2)6 (SG:15) 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-709019
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; C6 Ca2 Cu1 H6 O12; C-Ca-Cu-H-O; ICSD-151316; electronic bandstructure
OSTI Identifier:
1286564
DOI:
10.17188/1286564

Citation Formats

Persson, Kristin. Materials Data on Ca2CuH6(CO2)6 (SG:15) by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1286564.
Persson, Kristin. Materials Data on Ca2CuH6(CO2)6 (SG:15) by Materials Project. United States. doi:10.17188/1286564.
Persson, Kristin. 2016. "Materials Data on Ca2CuH6(CO2)6 (SG:15) by Materials Project". United States. doi:10.17188/1286564. https://www.osti.gov/servlets/purl/1286564. Pub date:Thu Jul 14 00:00:00 EDT 2016
@article{osti_1286564,
title = {Materials Data on Ca2CuH6(CO2)6 (SG:15) 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 = {10.17188/1286564},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {7}
}

Dataset:

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