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Title: Materials Data on MoPCl8O (SG:62) 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

Authors:
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1281117
Report Number(s):
mp-652001
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Cl8 Mo1 O1 P1; Cl-Mo-O-P; ICSD-40385; electronic bandstructure

Citation Formats

The Materials Project. Materials Data on MoPCl8O (SG:62) by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1281117.
The Materials Project. Materials Data on MoPCl8O (SG:62) by Materials Project. United States. https://doi.org/10.17188/1281117
The Materials Project. 2014. "Materials Data on MoPCl8O (SG:62) by Materials Project". United States. https://doi.org/10.17188/1281117. https://www.osti.gov/servlets/purl/1281117.
@article{osti_1281117,
title = {Materials Data on MoPCl8O (SG:62) by Materials Project},
author = {The Materials Project},
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 = {10.17188/1281117},
url = {https://www.osti.gov/biblio/1281117}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 09 00:00:00 EDT 2014},
month = {Wed Jul 09 00:00:00 EDT 2014}
}