Table Format Syntax
Pandat™ table column lists a series of property string switch that can be used to extract the corresponding properties from the calculation results. A property string can be simply a property name (e.g. T, P, G, H, and S) or an expression including property name and special symbols (e.g. mu(Mg@Fcc)). Generally, a property string has the following format:
Z(component@phase:reference_phase[component])
or in a simple form as
Z(*@*:ref_ph[*])
where Z is the property name and "*" represents a wild card which can be phases, components, or species. The first "*" after "(" is the name of a selected component or species. If "*" is used, it means all the components or species in the system. The second "*" represents the name of the selected phase, which must follow "@". Again, if "*" is used, it means all the phases. For example, x(*@*) means to list the composition of every element in every phase. The colon ":" is used for defining reference states. The reference phase name "ref_ph" must be given explicitly and the wild card "*" cannot be used for the names of reference phases. It should be pointed out that different element can have different reference state. For example, a(*@*:Fcc[Al],Hcp[Zn]) means that Al uses fcc as its reference state and Zn uses hcp as its reference state. Similarly, a(*@*:Fcc[*],Hcp[Zn]) means Hcp is selected as the reference state of Zn, while Fcc is selected for all the other components in the system.
If the property string has the following format:
Z(@*:ref_ph[*])
i.e., no component or species is specified, and the first “*” after “(” is missing, it defines the property of a phase or phases. For example, H(@Liquid) means the enthalpy of the liquid phase, and H(@*) lists enthalpies of all the phases in the system. If the reference state is not specified, it means to refer to the default reference state defined in the database which is usually the standard element reference state. When the reference state is selected, H(@Liquid:Fcc[Al],Hcp[Zn]) represents the mixing enthalpy of liquid phase referring to Fcc Al and Hcp Zn at the same temperature.
If the property string has the following format:
Z(:ref_ph[*])
i.e., both component and phase names are missing; it represents the property of the system. For example, G(:Fcc[*]) represents the Gibbs energy of the system (equilibrium phases) referring to Fcc phase.
It is worth to pointing out that the wild card “*” is very convenient to extract properties for all the components and all the phases, especially in multicomponent, multiphase system. It should also point out that if no reference states are specified, it refers to the default reference state used in the database. Table 1 in Section Pandat Table Format Syntax lists the syntaxes in the Table format.