TaB: enthalpy of formation

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

Systems: B–Ta

Literature values

Enthalpy of formation of TaB reported in the literature (3)
ValuePhase as printedT (K)ClassMethodSystemSourceLocationQuote
-83.5 kJ/mol-atomTaB0DFTB–Ta[1] OuYang 2017
cites Qi 2013		Table 1, p. 4, row 10
report
-83.218 kJ/mol-atomTaB0DFTB–Ta[1] OuYang 2017
cites Zhang 2015 doi		Table 1, p. 4, row 9
report
-81.007 kJ/mol-atomTaB0DFTB–Ta[1] OuYang 2017Table 1, p. 4, 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 TaB
ValueUnitPrintedReadingMethod (class, basis)CompositionScatterConversionEffective
-83.5kJ/mol-atom0.059.966 (dft, calibrated)9.966
-83.218kJ/mol-atom5.000e-49.966 (dft, calibrated)9.966
-81.007kJ/mol-atom5.000e-49.966 (dft, calibrated)9.966

Sources

  1. Xuemei OuYang, Fucheng Yin, Jingxian Hu, Ye Liu, Zhaohui Long, Thermodynamic Modeling of B-Ta and B-C-Ta Systems, J. Phase Equilib. Diffus. 38, 874-886 (2017). doi:10.1007/s11669-017-0603-2