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Title: Materials Data on Ca3Cu3(AsO4)4 (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-555937
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; As4 Ca3 Cu3 O16; As-Ca-Cu-O; ICSD-75034; electronic bandstructure
OSTI Identifier:
1269068
DOI:
10.17188/1269068

Citation Formats

Persson, Kristin. Materials Data on Ca3Cu3(AsO4)4 (SG:14) by Materials Project. United States: N. p., 2016. Web. doi:10.17188/1269068.
Persson, Kristin. Materials Data on Ca3Cu3(AsO4)4 (SG:14) by Materials Project. United States. doi:10.17188/1269068.
Persson, Kristin. 2016. "Materials Data on Ca3Cu3(AsO4)4 (SG:14) by Materials Project". United States. doi:10.17188/1269068. https://www.osti.gov/servlets/purl/1269068. Pub date:Thu Feb 04 00:00:00 EST 2016
@article{osti_1269068,
title = {Materials Data on Ca3Cu3(AsO4)4 (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 = {10.17188/1269068},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {2}
}

Dataset:

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