Si3Ti: enthalpy of formation

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

Systems: Si–Ti

Literature values

Enthalpy of formation of Si3Ti reported in the literature (1)
ValuePhase as printedT (K)ClassMethodSystemSourceLocationQuote
-4.51 kJ/mol-atomSi3Ti(L12)0DFTAb initioSi–Ti[1] Tokunaga 2004Table 2, p. 3, row 8
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 Si3Ti
ValueUnitPrintedReadingMethod (class, basis)CompositionScatterConversionEffective
-4.51kJ/mol-atom0.0059.966 (dft, calibrated)9.966

Sources

  1. Tatsuya Tokunaga, Koji Hashima, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic Analysis of the Ni-Si-Ti System Using Thermochemical Properties Determined from Ab Initio Calculations, Mater. Trans. 45, 1507-1514 (2004). doi:10.2320/matertrans.45.1507