Thermochemical Database
Database format
equilipy
uses the data format (.dat
) provided by ChemSage (also known as ChemApp). Detailed information about the database format can be found in ChemApp_online-manual. This data format is compatible with commercial programs like FactSage and non-commercial programs such as PyCalphad and Thermochimica.
The current version of equilipy
does not support .tdb
database format. However, the conversion from .tdb
to .dat
is available in FactSage7.3.
The ChemSage .dat
format was recently changed in FactSage8.0+. The new .dat
format is not yet compatible with equilipy
.
Example database
equilipy
provides an example thermochemical database for the Al-Cu-Mg-Si quaternary system. Thermodynamic assessments of partinent unary, binary, and ternary systems were taken from COST507.