Ge2Ni3: enthalpy of formation
1 accepted literature formation-enthalpy value(s) (experimental 1); experimental median -34 kJ/mol-atom (n = 1); OQMD -30.984 kJ/mol-atom (oqmd-1797418).
Systems: Ge–Ni
Literature values
| Value | Phase as printed | T (K) | Class | Method | System | Source | Location | Quote |
|---|---|---|---|---|---|---|---|---|
| -34 kJ/mol-atom | Ni3Ge2 (Ni5Ge3) | 298.15 | experimental | Calorimetry | Ge–Ni | [1] Jin 2012 | Table 1, p. 2, row 13 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 |
|---|---|---|---|---|---|---|---|---|
| -34 | kJ/mol-atom | 0.05 | 3.2 (solution_reaction_calorimetry, calibrated) | 3.2 |
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 |
|---|---|---|---|---|---|---|---|
| OQMD | oqmd-1797418 | -30.984 | -0.32113 | Pnma | 0.1635 | 0.0017 | yes |
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
- Shan Jin, Christian Leinenbach, Jiang Wang, Liliana I. Duarte, Simona Delsante, Gabriella Borzone et al., Thermodynamic study and re-assessment of the Ge-Ni system, Calphad 38, 23-34 (2012). doi:10.1016/j.calphad.2012.03.003