ZrN3: enthalpy of formation

2 accepted literature formation-enthalpy value(s) (DFT 2).

Systems: N–Zr

Literature values

Enthalpy of formation of ZrN3 reported in the literature (2)
ValuePhase as printedT (K)ClassMethodSystemSourceLocationQuote
67.3936 kJ/mol-atomZrN30DFTDFT-LDAN–Zr[1] Ma 2004Table 4, p. 3, row 2
report
108.517 kJ/mol-atomZrN30DFTDFT-GGAN–Zr[1] Ma 2004Table 4, p. 3, row 1
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 ZrN3
ValueUnitPrintedReadingMethod (class, basis)CompositionScatterConversionEffective
67.3936kJ/mol-atom3.125e-59.966 (dft, calibrated)9.966
108.517kJ/mol-atom1.250e-49.966 (dft, calibrated)9.966

Sources

  1. Xiaoyan Ma, Changrong Li, Kewu Bai, Ping Wu, Weijing Zhang, Thermodynamic assessment of the Zr–N system, Journal of Alloys and Compounds 373, 194-201 (2004). doi:10.1016/j.jallcom.2003.10.051