Ge3Nb5: enthalpy of formation
4 accepted literature formation-enthalpy value(s) (model 2, DFT 2).
Systems: Ge–Nb
Literature values
| Value | Phase as printed | T (K) | Class | Method | System | Source | Location | Quote |
|---|---|---|---|---|---|---|---|---|
| -42.892 kJ/mol (basis unstated) | Nb5Ge3 | 298.15 | model | Calphad | Ge–Nb | [1] Utton 2017 | Table 2, p. 6, row 6 report | |
| -42 kJ/mol (basis unstated) | Nb5Ge3 | 298.15 | model | Calphad | Ge–Nb | [1] Utton 2017 | Table 2, p. 6, row 2 report | |
| -46.63 kJ/mol (basis unstated) | Nb5Ge3 | 0 | DFT | ab initio | Ge–Nb | [1] Utton 2017 cites Papadimitriou 2015 doi | Table 2, p. 6, row 5 report | |
| -46.53 kJ/mol (basis unstated) | Nb5Ge3 | 0 | DFT | ab initio | Ge–Nb | [1] Utton 2017 cites Papadimitriou 2015 doi | Table 2, p. 6, row 1 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 |
|---|---|---|---|---|---|---|---|---|
| -42.892 | kJ/mol (basis unstated) | 5.000e-4 | 31.2 (model_calculated, calibrated) | 31.2 | ||||
| -42 | kJ/mol (basis unstated) | 0.5 | 31.2 (model_calculated, calibrated) | 31.2 | ||||
| -46.63 | kJ/mol (basis unstated) | 0.005 | 67.16 (dft, calibrated) | 67.16 | ||||
| -46.53 | kJ/mol (basis unstated) | 0.005 | 67.16 (dft, calibrated) | 67.16 |
Sources
- Claire A. Utton, Ioannis Papadimitriou, Hajime Kinoshita, Panos Tsakiropoulos, Experimental and thermodynamic assessment of the Ge-Nb-Si ternary phase diagram, Journal of Alloys and Compounds 717, 303-316 (2017). doi:10.1016/j.jallcom.2017.04.279