EuNi2: enthalpy of formation

4 accepted literature formation-enthalpy value(s) (experimental 1, model 3); OQMD -37.69 kJ/mol-atom (oqmd-1591127).

Systems: Eu–Ni

Literature values

Enthalpy of formation of EuNi2 reported in the literature (4)
ValuePhase as printedT (K)ClassMethodSystemSourceLocationQuote
-15.6 kJ/mol (basis unstated)Ni2Eu298.15experimentalCalorimetryEu–Ni[1] Kardellass 2016
cites Berezutskii 2014 doi
Table 7, p. 13, row 7
report
-16.36 kJ/mol (basis unstated)Ni2EumodelOptimizationEu–Ni[1] Kardellass 2016Table 7, p. 13, row 6
report
-16.36 kJ/mol-atomNi2Eu298.15modelOptimizationEu–Ni[1] Kardellass 2016Table 4, p. 7, row 10
report
-16.22 kJ/mol (basis unstated)Ni2EumodelOptimizationEu–Ni[1] Kardellass 2016Table 7, p. 13, 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 EuNi2
ValueUnitPrintedReadingMethod (class, basis)CompositionScatterConversionEffective
-15.6kJ/mol (basis unstated)0.059.6 (solution_reaction_calorimetry, calibrated)9.6
-16.36kJ/mol (basis unstated)0.00511.7 (model_calculated, calibrated)11.7
-16.36kJ/mol-atom0.0053.9 (model_calculated, calibrated)3.9
-16.22kJ/mol (basis unstated)0.00511.7 (model_calculated, calibrated)11.7

DFT formation energies

Lowest-energy entries at this composition. Materials Project and OQMD use different energy references and are never averaged. 1 eV/atom = 96.485 kJ/mol-atom.

DFT formation energy of EuNi2
SourceEntrykJ/mol-atomeV/atomSpace groupE above hull (kJ/mol-atom)E above hull (eV/atom)Theoretical
OQMDoqmd-1591127-37.69-0.390629Fd-3m00yes

DFT sources: A. Jain et al., Commentary: The Materials Project: A materials genome approach to accelerating materials innovation, APL Materials 1 (2013) 011002. doi:10.1063/1.4812323 (CC BY 4.0); J. E. Saal et al., JOM 65 (2013) 1501-1509; S. Kirklin et al., npj Comput. Mater. 1 (2015) 15010. doi:10.1007/s11837-013-0755-4 (CC BY 4.0);

Sources

  1. Saïd Kardellass, Colette Servant, Najim Selhaoui, Thermodynamic description of the Ni–Yb and Ni–Eu binary systems, J Therm Anal Calorim 125, 255-269 (2016). doi:10.1007/s10973-016-5380-3