Result classes

Calculations return typed result objects:

• EquilibResult — from equilib_single() and equilib_batch()

• ScheilResult — from scheil_cooling() and related functions

A single-condition result holds one point; batch and path results hold many. result.points is always a list; result.point is a shortcut valid only for one-point results.

System properties

res.T, res.P                  # conditions
res.G, res.H, res.S, res.Cp   # J and J/K
res.n_i["Al"]                 # component amount, mole basis
res.w_i["Al"]                 # component amount, mass basis

Phases

res.stable_phases.names            # stable phase names
phase = res.phase("LIQUID")
phase.amount_n                     # phase amount, mole basis
phase.amount_n_basis               # basis for amount_n, e.g. formula_moles
phase.elements.x_i["Al"]           # element mole fraction in the phase
phase.endmembers.x_i               # endmember fractions

For stoichiometric condensed phases in pseudo-component systems, amount_n is reported as formula moles. This matches FactSage-style phase amount semantics for oxide components such as CaO, Al2O3, and SiO2. Solution phases usually keep their model-native amount basis, but rank-reduced pseudo-component systems may report pseudo_formula_moles when the solution endmembers project cleanly into the user component basis. The exact basis is exposed through phase.amount_n_basis.

Per-species activities use "species@PHASE" keys:

res.activity["Al@LIQUID"]

Scheil results

res.scheil_constituents            # constituents at end of solidification
res.fl, res.fs                     # liquid/solid fractions along the path
res.phase_amounts_n                # {phase: amounts along the path}
res.phase_amount_n("FCC_A1")       # one phase's amounts

Tables and export

res.to_dict()                      # flattened table as a dictionary
pl.DataFrame(res.to_dict())        # -> polars dataframe
res.to_table()                     # ResultTable: column selection, CSV export
res.available_columns()            # list of exportable columns

Naming conventions used throughout: n_*/amount_n are mole basis, amount_n_basis states the phase amount basis, w_*/amount_w mass basis; x_i mole fractions, w_i mass fractions; fl/fs liquid/solid fractions.

For the complete class-level API, see the Result API reference.