Fe3Mo2: enthalpy of formation

3 accepted literature formation-enthalpy value(s) (model 1, DFT 2).

Systems: Fe–Mo

Literature values

Enthalpy of formation of Fe3Mo2 reported in the literature (3)
ValuePhase as printedT (K)ClassMethodSystemSourceLocationQuote
4.037 kJ/mol-atomFe3Mo2 (R)298.15modelCalphadFe–Mo[1] Rajkumar 2014Table 8, p. 6, row 8
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2.297 kJ/mol-atomFe3Mo2 (R)298.15DFTab initioFe–Mo[1] Rajkumar 2014
cites Mihlakovic		Table 8, p. 6, row 6
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3.773 kJ/mol-atomFe3Mo2 (R)298.15DFTab initioFe–Mo[1] Rajkumar 2014Table 8, p. 6, row 7
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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 Fe3Mo2
ValueUnitPrintedReadingMethod (class, basis)CompositionScatterConversionEffective
4.037kJ/mol-atom5.000e-43.9 (model_calculated, calibrated)3.9
2.297kJ/mol-atom5.000e-43.929 (dft, calibrated)3.929
3.773kJ/mol-atom5.000e-43.929 (dft, calibrated)3.929

Sources

  1. V.B. Rajkumar, K.C. Hari Kumar, Thermodynamic modeling of the Fe–Mo system coupled with experiments and ab initio calculations, Journal of Alloys and Compounds 611, 303-312 (2014). doi:10.1016/j.jallcom.2014.05.030