Be3Zr: enthalpy of formation

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

Systems: Be–Zr

Literature values

Enthalpy of formation of Be3Zr reported in the literature (1)
ValuePhase as printedT (K)ClassMethodSystemSourceLocationQuote
-6.1 kJ/mol-atomZrBe3–D030DFTab initio (FLAPW)Be–Zr[1] Tokunaga 2006Table 1, p. 2, row 5
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 Be3Zr
ValueUnitPrintedReadingMethod (class, basis)CompositionScatterConversionEffective
-6.1kJ/mol-atom0.058.395 (dft, calibrated)8.395

Sources

  1. Tatsuya Tokunaga, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic analysis of the Zr–Be system using thermochemical properties based on ab initio calculations, Calphad 30, 201-208 (2006). doi:10.1016/j.calphad.2005.09.007