Ge12Li7: enthalpy of formation
6 accepted literature formation-enthalpy value(s) (experimental 3, model 2, DFT 1); experimental median -22.4 kJ/mol-atom (n = 3).
Systems: Ge–Li
Literature values
| Value | Phase as printed | T (K) | Class | Method | System | Source | Location | Quote |
|---|---|---|---|---|---|---|---|---|
| -22.4 kJ/mol-atom | Ge12Li7 | 298.15 | experimental | calorimetry | Ge–Li | [1] Gierlotka 2022 | Table 4, p. 4, row 2 report | |
| -22.4 kJ/mol-atom ± 1.3 | Ge12Li7 | 298.15 | experimental | drop solution calorimetry (Sn bath) | Ge–Li | [1] Gierlotka 2022 | Table 4, p. 4, row 16 report | |
| -21.9 kJ/mol-atom ± 1.3 | Ge12Li7 | 298.15 | experimental | experiment | Ge–Li | [1] Gierlotka 2022 | Table 10, p. 8, row 2 report | |
| -26.664 kJ/mol-atom | Ge12Li7 | 0 | model | Ge–Li | [1] Gierlotka 2022 cites modeled stoichiometry of the phases based on Gruttner [23] description whereas this work adopts ab initio findings | Table 10, p. 8, row 4 report | ||
| -20.819 kJ/mol-atom | Ge12Li7 | 0 | model | Calphad | Ge–Li | [1] Gierlotka 2022 | Table 10, p. 8, row 3 report | |
| -20.006 kJ/mol-atom | Ge12Li7 | 0 | DFT | ab initio | Ge–Li | [1] Gierlotka 2022 | Table 10, p. 8, 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 |
|---|---|---|---|---|---|---|---|---|
| -22.4 | kJ/mol-atom | 0.05 | 3.2 (solution_reaction_calorimetry, calibrated) | 3.2 | ||||
| -22.4 | kJ/mol-atom | 1.3 | 0.05 | 3.2 (solution_reaction_calorimetry, calibrated) | 3.2 | |||
| -21.9 | kJ/mol-atom | 1.3 | 5.000e-5 | 4.1 (experimental_unspecified, cleaned_below_threshold) | 4.1 | |||
| -26.664 | kJ/mol-atom | 5.000e-4 | 3.9 (model_calculated, calibrated) | 3.9 | ||||
| -20.819 | kJ/mol-atom | 5.000e-4 | 3.9 (model_calculated, calibrated) | 3.9 | ||||
| -20.006 | kJ/mol-atom | 5.000e-4 | 8.395 (dft, calibrated) | 8.395 |
Sources
- W. Gierlotka, A. Dębski, M. Zabrocki, A. Góral, W. Gąsior, Phase diagram, thermodynamic studies, and ab-initio calculations of the Ge-Li system, The Journal of Chemical Thermodynamics 175, 106883 (2022). doi:10.1016/j.jct.2022.106883