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Title: Materials Data on Sc2Cu3H36(NF)12 (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-699474
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; Cu3 F12 H36 N12 Sc2; Cu-F-H-N-Sc; ICSD-94399
OSTI Identifier:
1281923
DOI:
10.17188/1281923

Citation Formats

Persson, Kristin. Materials Data on Sc2Cu3H36(NF)12 (SG:2) by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1281923.
Persson, Kristin. Materials Data on Sc2Cu3H36(NF)12 (SG:2) by Materials Project. United States. doi:10.17188/1281923.
Persson, Kristin. 2016. "Materials Data on Sc2Cu3H36(NF)12 (SG:2) by Materials Project". United States. doi:10.17188/1281923. https://www.osti.gov/servlets/purl/1281923. Pub date:Fri Jul 29 00:00:00 EDT 2016
@article{osti_1281923,
title = {Materials Data on Sc2Cu3H36(NF)12 (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 = {10.17188/1281923},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {7}
}

Dataset:

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