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Title: Materials Data on Ca2Y2Si4H2CO16 (SG:62) 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-720719
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; C1 Ca2 H2 O16 Si4 Y2; C-Ca-H-O-Si-Y; ICSD-67039; electronic bandstructure
OSTI Identifier:
1287221
DOI:
10.17188/1287221

Citation Formats

Persson, Kristin. Materials Data on Ca2Y2Si4H2CO16 (SG:62) by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1287221.
Persson, Kristin. Materials Data on Ca2Y2Si4H2CO16 (SG:62) by Materials Project. United States. doi:10.17188/1287221.
Persson, Kristin. 2014. "Materials Data on Ca2Y2Si4H2CO16 (SG:62) by Materials Project". United States. doi:10.17188/1287221. https://www.osti.gov/servlets/purl/1287221. Pub date:Wed Jul 09 00:00:00 EDT 2014
@article{osti_1287221,
title = {Materials Data on Ca2Y2Si4H2CO16 (SG:62) 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 = {10.17188/1287221},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {7}
}

Dataset:

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