Citrine: Pandat table ingester (.csv)
Ingester Description |
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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) |
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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 | |
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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 |
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To see an example file please click here. |