PdSi: enthalpy of formation
4 accepted literature formation-enthalpy value(s) (DFT 4).
Systems: Pd–Si
Literature values
| Value | Phase as printed | T (K) | Class | Method | System | Source | Location | Quote |
|---|---|---|---|---|---|---|---|---|
| -50.18 kJ/mol (basis unstated) | PdSi-δ | 0 | DFT | first-principles | Pd–Si | [1] Zhou 2016 | Table I, p. 3, row 25 report | |
| -50.18 kJ/mol (basis unstated) | PdSi-δ | DFT | first-principles | Pd–Si | [1] Zhou 2016 | Table I, p. 3, row 25 report | ||
| 43.17 kJ/mol (basis unstated) | SiPd-δ | 0 | DFT | first-principles | Pd–Si | [1] Zhou 2016 | Table I, p. 3, row 27 report | |
| 43.17 kJ/mol (basis unstated) | SiPd-δ | DFT | first-principles | Pd–Si | [1] Zhou 2016 | Table I, p. 3, row 27 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 |
|---|---|---|---|---|---|---|---|---|
| -50.18 | kJ/mol (basis unstated) | 0.005 | 19.93 (dft, calibrated) | 19.93 | ||||
| -50.18 | kJ/mol (basis unstated) | 0.005 | 19.93 (dft, calibrated) | 19.93 | ||||
| 43.17 | kJ/mol (basis unstated) | 0.005 | 19.93 (dft, calibrated) | 19.93 | ||||
| 43.17 | kJ/mol (basis unstated) | 0.005 | 19.93 (dft, calibrated) | 19.93 |
Sources
- S. H. Zhou, Y. Huo, Ralph E. Napolitano, Phase Stability for the Pd-Si System: First-Principles, Experiments, and Solution-Based Modeling, Metall Mater Trans A 47, 194-208 (2016). doi:10.1007/s11661-015-3206-8