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Title: Materials Data on K3CuB2P4H3O17 (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-773133
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; B2 Cu1 H3 K3 O17 P4; B-Cu-H-K-O-P; ICSD-408834; electronic bandstructure
OSTI Identifier:
1301607
DOI:
10.17188/1301607

Citation Formats

Persson, Kristin. Materials Data on K3CuB2P4H3O17 (SG:14) by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1301607.
Persson, Kristin. Materials Data on K3CuB2P4H3O17 (SG:14) by Materials Project. United States. doi:10.17188/1301607.
Persson, Kristin. 2016. "Materials Data on K3CuB2P4H3O17 (SG:14) by Materials Project". United States. doi:10.17188/1301607. https://www.osti.gov/servlets/purl/1301607. Pub date:Sat Apr 23 00:00:00 EDT 2016
@article{osti_1301607,
title = {Materials Data on K3CuB2P4H3O17 (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 = {10.17188/1301607},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {4}
}

Dataset:

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