Ni3Ta: enthalpy of formation

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

Systems: Ni–Ta

Literature values

Enthalpy of formation of Ni3Ta reported in the literature (3)
ValuePhase as printedT (K)ClassMethodSystemSourceLocationQuote
-35.29 kJ/mol-atomNi3TaDFTfirst-principles calculationsNi–Ta[1] Zhou 2009Table 6, p. 7, row 43
report
-34.81 kJ/mol-atomNi3TaDFTfirst-principles calculationsNi–Ta[1] Zhou 2009Table 6, p. 7, row 40
report
-29.29 kJ/mol-atomNi3TaDFTfirst-principles calculationsNi–Ta[1] Zhou 2009Table 6, p. 7, row 32
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 Ni3Ta
ValueUnitPrintedReadingMethod (class, basis)CompositionScatterConversionEffective
-35.29kJ/mol-atom0.0053.929 (dft, calibrated)3.929
-34.81kJ/mol-atom0.0053.929 (dft, calibrated)3.929
-29.29kJ/mol-atom0.0053.929 (dft, calibrated)3.929

Sources

  1. S.H. Zhou, Y. Wang, L.-Q. Chen, Z.-K. Liu, R.E. Napolitano, Solution-based thermodynamic modeling of the Ni–Ta and Ni–Mo–Ta systems using first-principle calculations, Calphad 33, 631-641 (2009). doi:10.1016/j.calphad.2009.06.006