LaPt2: enthalpy of formation

11 accepted literature formation-enthalpy value(s) (experimental 6, model 5); experimental median -108.2 kJ/mol-atom (n = 6); Materials Project -103.825 kJ/mol-atom (mp-aaaaabjc); OQMD -104.329 kJ/mol-atom (oqmd-17572).

Systems: La–Pt

Literature values

Enthalpy of formation of LaPt2 reported in the literature (11)
ValuePhase as printedT (K)ClassMethodSystemSourceLocationQuote
-112.6 kJ/mol-atomPt2La1073experimentalEMFLa–Pt[1] Reimann 2006Table 2, p. 3, row 14
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-111.5 kJ/mol-atomPt2La1073experimentalEMFLa–Pt[1] Reimann 2006Table 2, p. 3, row 12
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-108.9 kJ/mol-atomPt2La1073experimentalEMFLa–Pt[1] Reimann 2006Table 2, p. 3, row 10
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-107.5 kJ/mol-atomPt2La1073experimentalEMFLa–Pt[1] Reimann 2006Table 2, p. 3, row 8
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-106 kJ/mol-atomPt2La1073experimentalEMFLa–Pt[1] Reimann 2006Table 2, p. 3, row 6
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-104.5 kJ/mol-atomPt2La1073experimentalEMFLa–Pt[1] Reimann 2006Table 2, p. 3, row 5
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-111.4 kJ/mol-atomPt2La1073modelLa–Pt[1] Reimann 2006Table 2, p. 3, row 15
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-109.8 kJ/mol-atomPt2La1073modelLa–Pt[1] Reimann 2006Table 2, p. 3, row 13
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-107.9 kJ/mol-atomPt2La1073modelLa–Pt[1] Reimann 2006Table 2, p. 3, row 11
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-107.1 kJ/mol-atomPt2La1073modelLa–Pt[1] Reimann 2006Table 2, p. 3, row 9
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-104.7 kJ/mol-atomPt2La1073modelLa–Pt[1] Reimann 2006Table 2, p. 3, row 7
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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 LaPt2
ValueUnitPrintedReadingMethod (class, basis)CompositionScatterConversionEffective
-112.6kJ/mol-atom0.054.6 (emf, cleaned_below_threshold)4.6
-111.5kJ/mol-atom0.054.6 (emf, cleaned_below_threshold)4.6
-108.9kJ/mol-atom0.054.6 (emf, cleaned_below_threshold)4.6
-107.5kJ/mol-atom0.054.6 (emf, cleaned_below_threshold)4.6
-106kJ/mol-atom0.054.6 (emf, cleaned_below_threshold)4.6
-104.5kJ/mol-atom0.054.6 (emf, cleaned_below_threshold)4.6
-111.4kJ/mol-atom0.053.9 (model_calculated, calibrated)3.9
-109.8kJ/mol-atom0.053.9 (model_calculated, calibrated)3.9
-107.9kJ/mol-atom0.053.9 (model_calculated, calibrated)3.9
-107.1kJ/mol-atom0.053.9 (model_calculated, calibrated)3.9
-104.7kJ/mol-atom0.053.9 (model_calculated, calibrated)3.9

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 LaPt2
SourceEntrykJ/mol-atomeV/atomSpace groupE above hull (kJ/mol-atom)E above hull (eV/atom)Theoretical
Materials Projectmp-aaaaabjc-103.825-1.07607Fd-3m00no
OQMDoqmd-17572-104.329-1.0813Fd-3m00no

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. S. Reimann, H.-J. Schaller, Constitution and thermodynamics of Pt–La alloys, Journal of Alloys and Compounds 419, 133-139 (2006). doi:10.1016/j.jallcom.2005.10.016