FeTa12: enthalpy of formation

1 accepted literature formation-enthalpy value(s) (DFT 1).

Systems: Fe–Ta

Literature values

Enthalpy of formation of FeTa12 reported in the literature (1)
ValuePhase as printedT (K)ClassMethodSystemSourceLocationQuote
6.15538 kJ/mol-atomFe1Ta120DFTVASP (first-principles)Fe–Ta[1] Rajkumar 2015Table 9, p. 6, row 7
report

Uncertainty budget

Components kept separate, in the value's unit (literature SCHEMA.md, UNCERTAINTY_CALIBRATION.md): effective = max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter). The method floor is the robust between-study scatter of the method class in ORCHID (calibrated) or a documented prior; printed values and printed uncertainties are unchanged.

Uncertainty budget of the literature values of FeTa12
ValueUnitPrintedReadingMethod (class, basis)CompositionScatterConversionEffective
6.15538kJ/mol-atom3.846e-53.929 (dft, calibrated)3.929

Sources

  1. V.B. Rajkumar, K.C. Hari Kumar, Gibbs energy modeling of Fe–Ta system by Calphad method assisted by experiments and ab initio calculations, Calphad 48, 157-165 (2015). doi:10.1016/j.calphad.2014.12.006