CrTa2: enthalpy of formation

3 accepted literature formation-enthalpy value(s) (DFT 3).

Systems: Cr–Ta

Literature values

Enthalpy of formation of CrTa2 reported in the literature (3)
ValuePhase as printedT (K)ClassMethodSystemSourceLocationQuote
74.39 kJ/mol (basis unstated)CrTa2 (C15)0DFTab initioCr–Ta[1] Pavlů 2009Table 5, p. 4, row 4
report
75.34 kJ/mol (basis unstated)CrTa2 (C36)0DFTab initioCr–Ta[1] Pavlů 2009Table 5, p. 4, row 6
report
76.35 kJ/mol (basis unstated)CrTa2 (C14)0DFTab initioCr–Ta[1] Pavlů 2009Table 5, p. 4, row 2
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 CrTa2
ValueUnitPrintedReadingMethod (class, basis)CompositionScatterConversionEffective
74.39kJ/mol (basis unstated)0.00511.79 (dft, calibrated)11.79
75.34kJ/mol (basis unstated)0.00511.79 (dft, calibrated)11.79
76.35kJ/mol (basis unstated)0.00511.79 (dft, calibrated)11.79

Sources

  1. J. Pavlů, J. Vřešt’ál, M. Šob, Re-modeling of Laves phases in the Cr–Nb and Cr–Ta systems using first-principles results, Calphad 33, 179-186 (2009). doi:10.1016/j.calphad.2008.04.006