================================= README.TXT =================================

All Authors: Paul J. Dalach, Donald E. Ellis, Axel van de Walle

Title: First Principles Thermodynamic Modeling of Lanthanum Chromate Perovskites

Description: 
Supplemental material consists of full raw atomic ordering data used within the
submitted work and additional atomic ordering charts, all contained in a series
of Excel2007 spreadsheets. 

File names correspond to the type of enclosed information.  The file
"lscf_1000K_anionOnly_Supplemental.xlsx", for instance, atomic contains ordering
data for (La,Sr)(Cr,Fe)O3 calculated at 1000K where only the oxygen anions and
oxygen vacancies are allowed to equilibrate.  See the main text for a full guide
to the file name definitions.

Total No. of Files: 7

Filenames: 
lscf_1000K_anionOnly_Supplemental.xlsx, lscf_1000K_fixedA_Supplemental.xlsx,
lscf_1000K_unrestricted_Supplemental.xlsx,
lscr_1000K_anionOnly_Supplemental.xlsx, lscr_1000K_fixedA_Supplemental.xlsx,
lscr_1000K_unrestricted_Supplemental.xlsx, README.TXT

Filetypes: spreadsheet (xlsx)

Special Instructions: 


Contact information:
Dr. Paul  Dalach  
1923 W. Chase Ave.
Chicago, IL 60626
United States of America
Phone: (312) 718-0968          FAX:           
Email: pdalach@u.northwestern.edu

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