Citrine: Pandat table ingester (.csv)

Ingester Description
This ingester parses CSV files exported from the Pandat package for phase diagram calculation and thermodynamic assessment provided by CompuTherm LLC. It will create a record for every single row that represents a point in the phase diagram, i.e. temperature, compositions of each element, phases stable at that point, phase fractions, and thermodynamic data like Gibbs energy, enthalpy, and entropy of the system.
Description of accepted files (.csv)
This ingester accepts .csv files that can be exported by Pandat either directly from a TDB file or a phase diagram calculation. These files contain phase boundary data as functions of compositions and temperature, and various thermodynamic variables such as Gibbs energy, enthalpy, etc.
Required user inputs
system_name
(string)
Chemical system of the thermodynamic model being calculated.
(e.g. "Al-Cu")
file_id
(string)
ID of the file to differentiate your calculations of a system from anyone else's.
(e.g. "2017Citrine")
Example file
To see an example file please click here.



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