BaGa2: enthalpy of formation

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

Systems: Ba–Ga

Literature values

Enthalpy of formation of BaGa2 reported in the literature (1)
ValuePhase as printedT (K)ClassMethodSystemSourceLocationQuote
-44.588 kJ/mol-atomBaGa20DFTfirst-principles calculationsBa–Ga[1] Li 2013Table 2, p. 3, row 17
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 BaGa2
ValueUnitPrintedReadingMethod (class, basis)CompositionScatterConversionEffective
-44.588kJ/mol-atom5.000e-48.395 (dft, calibrated)8.395

Sources

  1. Xi Li, Kaiming Cheng, Xiaoming Yuan, Dongdong Zhao, Jinghua Xin, Weiwei Wang et al., Thermodynamic assessment of the Ga–X (X=B, Ca, Sr, Ba) systems supported by first-principles calculations, Calphad 43, 52-60 (2013). doi:10.1016/j.calphad.2013.09.002