Au51La14: enthalpy of formation
1 accepted literature formation-enthalpy value(s) (experimental 1); experimental median -57.9 kJ/mol-atom (n = 1); Materials Project -64.007 kJ/mol-atom (mp-aaacrqeg).
Systems: Au–La
Literature values
| Value | Phase as printed | T (K) | Class | Method | System | Source | Location | Quote |
|---|---|---|---|---|---|---|---|---|
| -57.9 kJ/mol-atom ± 1.9 | Au51La14 | 298.15 | experimental | Au–La | [1] Dong 2011 | Table 1, p. 3, row 9 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.
| Value | Unit | Printed | Reading | Method (class, basis) | Composition | Scatter | Conversion | Effective |
|---|---|---|---|---|---|---|---|---|
| -57.9 | kJ/mol-atom | 1.9 | 0.05 | 3.5 (unknown, calibrated) | 3.5 |
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.
| Source | Entry | kJ/mol-atom | eV/atom | Space group | E above hull (kJ/mol-atom) | E above hull (eV/atom) | Theoretical |
|---|---|---|---|---|---|---|---|
| Materials Project | mp-aaacrqeg | -64.007 | -0.663389 | P-6 | 0 | 0 | yes |
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
- H.Q. Dong, X.M. Tao, H.S. Liu, T. Laurila, M. Paulastro-Kröckel, Thermodynamic assessment of Au–La and Au–Er binary systems, Journal of Alloys and Compounds 509, 4439-4444 (2011). doi:10.1016/j.jallcom.2011.01.072