LiPb: enthalpy of formation
4 accepted literature formation-enthalpy value(s) (DFT 4).
Systems: Li–Pb
Literature values
| Value | Phase as printed | T (K) | Class | Method | System | Source | Location | Quote |
|---|---|---|---|---|---|---|---|---|
| -30.3 kJ/mol-atom ± 1.82 | αLiPb | 298.15 | DFT | Li–Pb | [1] Zhou 2016 cites Seith 1937 | Table 2, p. 2, row 13 report | ||
| -26.44 kJ/mol-atom | αLiPb | 0 | DFT | first-principles calculations | Li–Pb | [1] Zhou 2016 | Table 2, p. 2, row 15 report | |
| -24.25 kJ/mol-atom ± 0.55 | αLiPb | 298.15 | DFT | Li–Pb | [1] Zhou 2016 cites Kalyanaraman 1982 | Table 2, p. 2, row 14 report | ||
| -1.08 kJ/mol-atom | βLiPb | 0 | DFT | first-principles calculations | Li–Pb | [1] Zhou 2016 | Table 2, p. 2, row 16 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 |
|---|---|---|---|---|---|---|---|---|
| -30.3 | kJ/mol-atom | 1.82 | 0.05 | 8.395 (dft, calibrated) | 8.395 | |||
| -26.44 | kJ/mol-atom | 0.005 | 8.395 (dft, calibrated) | 8.395 | ||||
| -24.25 | kJ/mol-atom | 0.55 | 0.005 | 8.395 (dft, calibrated) | 8.395 | |||
| -1.08 | kJ/mol-atom | 0.005 | 8.395 (dft, calibrated) | 8.395 |
Sources
- Chenyang Zhou, Cuiping Guo, Changrong Li, Zhenmin Du, Thermodynamic optimization of the Li–Pb system aided by first-principles calculations, Journal of Nuclear Materials 477, 95-101 (2016). doi:10.1016/j.jnucmat.2016.04.061