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Title: Materials Data on B3H12CN4O (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-699467
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; B3 C1 H12 N4 O1; B-C-H-N-O; ICSD-95435
OSTI Identifier:
1285511
DOI:
10.17188/1285511

Citation Formats

Persson, Kristin. Materials Data on B3H12CN4O (SG:2) by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1285511.
Persson, Kristin. Materials Data on B3H12CN4O (SG:2) by Materials Project. United States. doi:10.17188/1285511.
Persson, Kristin. 2016. "Materials Data on B3H12CN4O (SG:2) by Materials Project". United States. doi:10.17188/1285511. https://www.osti.gov/servlets/purl/1285511. Pub date:Thu Feb 11 00:00:00 EST 2016
@article{osti_1285511,
title = {Materials Data on B3H12CN4O (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 = {10.17188/1285511},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {2}
}

Dataset:

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