Cs7O2: enthalpy of formation
4 accepted literature formation-enthalpy value(s) (model 2, DFT 2).
Systems: Cs–O
Literature values
| Value | Phase as printed | T (K) | Class | Method | System | Source | Location | Quote |
|---|---|---|---|---|---|---|---|---|
| -682.3 kJ/mol (basis unstated) | Cs7O2 | 298.15 | model | CALPHAD | Cs–O | [1] Guéneau 2015 | Table 5, p. 7, row 6 report | |
| -75.8111 kJ/mol-atom | Cs7O2 | 298.15 | model | CALPHAD | Cs–O | [1] Guéneau 2015 | Table 5, p. 7, row 6 report | |
| -576 kJ/mol (basis unstated) | Cs7O2 | 298.15 | DFT | DFT | Cs–O | [1] Guéneau 2015 | Table 5, p. 7, row 5 report | |
| -64 kJ/mol-atom | Cs7O2 | 298.15 | DFT | DFT | Cs–O | [1] Guéneau 2015 | Table 5, p. 7, row 5 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 |
|---|---|---|---|---|---|---|---|---|
| -682.3 | kJ/mol (basis unstated) | 0.05 | 35.1 (model_calculated, calibrated) | 35.1 | ||||
| -75.8111 | kJ/mol-atom | 0.005556 | 3.9 (model_calculated, calibrated) | 3.9 | ||||
| -576 | kJ/mol (basis unstated) | 0.05 | 89.69 (dft, calibrated) | 89.69 | ||||
| -64 | kJ/mol-atom | 0.005556 | 9.966 (dft, calibrated) | 9.966 |
Sources
- C. Guéneau, J.-L. Flèche, Thermodynamic assessment of the cesium–oxygen system by coupling density functional theory and CALPHAD approaches, Calphad 49, 67-78 (2015). doi:10.1016/j.calphad.2015.02.002