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Title: Materials Data on CaP3H16(NO4)3 (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-707856
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; Ca1 H16 N3 O12 P3; Ca-H-N-O-P; ICSD-39709
OSTI Identifier:
1286493
DOI:
10.17188/1286493

Citation Formats

Persson, Kristin. Materials Data on CaP3H16(NO4)3 (SG:14) by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1286493.
Persson, Kristin. Materials Data on CaP3H16(NO4)3 (SG:14) by Materials Project. United States. doi:10.17188/1286493.
Persson, Kristin. 2016. "Materials Data on CaP3H16(NO4)3 (SG:14) by Materials Project". United States. doi:10.17188/1286493. https://www.osti.gov/servlets/purl/1286493. Pub date:Tue May 31 00:00:00 EDT 2016
@article{osti_1286493,
title = {Materials Data on CaP3H16(NO4)3 (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 = {10.17188/1286493},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {5}
}

Dataset:

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