Al31Zr: enthalpy of formation

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

Systems: Al–Zr

Literature values

Enthalpy of formation of Al31Zr reported in the literature (3)
ValuePhase as printedT (K)ClassMethodSystemSourceLocationQuote
-128.8 unknownAl31ZrmodelAl–Zr[1] Khvan 2018
cites Fischer 2015 doi		Table 1, p. 4, row 23
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-100.6 eV/kJ mol−1Al31Zr0DFTab-initioAl–Zr[1] Khvan 2018Table 1, p. 4, row 22
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-1.043 eV/f.u.Al31Zr0DFTab-initioAl–Zr[1] Khvan 2018Table 1, p. 4, row 22
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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 Al31Zr
ValueUnitPrintedReadingMethod (class, basis)CompositionScatterConversionEffective
-128.8unknown0.05unit 'unknown' not convertible to kJ/mol-atomunit 'unknown' not convertible to kJ/mol-atom
-100.6eV/kJ mol−10.050.08701 (dft, calibrated)0.08701
-1.043eV/f.u.5.000e-40.08701 (dft, calibrated)0.08701

Sources

  1. A.V. Khvan, D.G. Eskin, K.F. Starodub, A.T. Dinsdale, F. Wang, C. Fang et al., New insights into solidification and phase equilibria in the Al-Al3Zr system: Theoretical and experimental investigations, Journal of Alloys and Compounds 743, 626-638 (2018). doi:10.1016/j.jallcom.2018.02.023