Cr11Ge19: enthalpy of formation
2 accepted literature formation-enthalpy value(s) (experimental 1, model 1); experimental median -7.28 kJ/mol-atom (n = 1); Materials Project -1.079 kJ/mol-atom (mp-aaabgzyh).
Systems: Cr–Ge
Literature values
| Value | Phase as printed | T (K) | Class | Method | System | Source | Location | Quote |
|---|---|---|---|---|---|---|---|---|
| -7.28 kJ/mol-atom | Cr11Ge19 | 298.15 | experimental | Potentiometric method | Cr–Ge | [1] Liu 2010 cites Lukashenko 1974 | Table 4, p. 7, row 11 report | |
| -10.16 kJ/mol-atom | Cr11Ge19 | 298.15 | model | Thermodynamic optimization | Cr–Ge | [1] Liu 2010 | Table 4, p. 7, row 12 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 |
|---|---|---|---|---|---|---|---|---|
| -7.28 | kJ/mol-atom | 0.005 | 4.6 (emf, cleaned_below_threshold) | 4.6 | ||||
| -10.16 | kJ/mol-atom | 0.005 | 3.9 (model_calculated, calibrated) | 3.9 |
DFT formation energies
Lowest-energy entries at this composition. Materials Project and OQMD use different energy references and are never averaged. 1 eV/atom = 96.485 kJ/mol-atom.
| Source | Entry | kJ/mol-atom | eV/atom | Space group | E above hull (kJ/mol-atom) | E above hull (eV/atom) | Theoretical |
|---|---|---|---|---|---|---|---|
| Materials Project | mp-aaabgzyh | -1.079 | -0.011185 | P-4n2 | 4.2008 | 0.0435 | no |
DFT sources: A. Jain et al., Commentary: The Materials Project: A materials genome approach to accelerating materials innovation, APL Materials 1 (2013) 011002. doi:10.1063/1.4812323 (CC BY 4.0); J. E. Saal et al., JOM 65 (2013) 1501-1509; S. Kirklin et al., npj Comput. Mater. 1 (2015) 15010. doi:10.1007/s11837-013-0755-4 (CC BY 4.0);
Sources
- Y.Q. Liu, Y. Du, Thermodynamic description of the Cr–Ge system, Calphad 34, 26-35 (2010). doi:10.1016/j.calphad.2009.11.001