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Title: Materials Data on Ba2InBrO3 (SG:129) by Materials Project

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
Authors:
Publication Date:
Report Number(s):
mp-555212
DOE Contract Number:
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org(s):
LBNL Materials Project; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Resource Relation:
Related Information: https://materialsproject.org/citing
Subject:
36 MATERIALS SCIENCE; crystal structure; Ba2 Br1 In1 O3; Ba-Br-In-O; ICSD-81878; electronic bandstructure
OSTI Identifier:
1268689

Persson, Kristin. Materials Data on Ba2InBrO3 (SG:129) by Materials Project. United States: N. p., Web. doi:10.17188/1268689.
Persson, Kristin. Materials Data on Ba2InBrO3 (SG:129) by Materials Project. United States. doi:10.17188/1268689.
Persson, Kristin. 2014. "Materials Data on Ba2InBrO3 (SG:129) by Materials Project". United States. doi:10.17188/1268689. https://www.osti.gov/servlets/purl/1268689.
@misc{osti_1268689,
title = {Materials Data on Ba2InBrO3 (SG:129) 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 = {10.17188/1268689},
year = {2014},
month = {7} }
  1. Harnessing the power of supercomputing and state of the art electronic structure methods, the Materials Project provides open web-based access to computed information on known and predicted materials as well as powerful analysis tools to inspire and design novel materials. Experimental research can be targeted to the most promising compounds from computational data sets. Supercomputing clusters at national laboratories provide the infrastructure that enables computations, data, and algorithms to run at unparalleled speed. Researchers are be able to data-mine scientific trends in materials properties. By providing materials researchers with the information they need to design better, the Materials Project aimsmore » to accelerate innovation in materials research. « less
  1. 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
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    DOE Contract Number:
    EDCBEE; AC02-05CH11231
    Publication Date:
    Research Org:
    Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); LBNL Materials Project