Eu2Ni17: enthalpy of formation

4 accepted literature formation-enthalpy value(s) (experimental 2, model 2); Materials Project -6.408 kJ/mol-atom (mp-aaacqixi); OQMD -12.136 kJ/mol-atom (oqmd-30108).

Systems: Eu–Ni

Literature values

Enthalpy of formation of Eu2Ni17 reported in the literature (4)
ValuePhase as printedT (K)ClassMethodSystemSourceLocationQuote
-48 kJ/mol (basis unstated) ± 4Ni17Eu2298.15experimentalEffusion and EMFEu–Ni[1] Kardellass 2016
cites Cignini 2003 doi
Table 7, p. 13, row 3
report
-9.9 kJ/mol (basis unstated)Ni17Eu2298.15experimentalCalorimetryEu–Ni[1] Kardellass 2016
cites Berezutskii 2014 doi
Table 7, p. 13, row 2
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-9 kJ/mol-atomNi17Eu2298.15modelOptimizationEu–Ni[1] Kardellass 2016Table 4, p. 7, row 3
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-9 kJ/mol (basis unstated)Ni17Eu2modelOptimizationEu–Ni[1] Kardellass 2016Table 7, p. 13, row 1
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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 Eu2Ni17
ValueUnitPrintedReadingMethod (class, basis)CompositionScatterConversionEffective
-48kJ/mol (basis unstated)40.0537.8 (kems_vapour, calibrated)37.8
-9.9kJ/mol (basis unstated)0.0528.8 (solution_reaction_calorimetry, calibrated)28.8
-9kJ/mol-atom0.053.9 (model_calculated, calibrated)3.9
-9kJ/mol (basis unstated)0.0535.1 (model_calculated, calibrated)35.1

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 Eu2Ni17
SourceEntrykJ/mol-atomeV/atomSpace groupE above hull (kJ/mol-atom)E above hull (eV/atom)Theoretical
Materials Projectmp-aaacqixi-6.408-0.066415P6_3/mmc1.18140.0122no
OQMDoqmd-30108-12.136-0.125779P63/mmc1.21240.0126no

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