EuNi2: enthalpy of formation
4 accepted literature formation-enthalpy value(s) (experimental 1, model 3); OQMD -37.69 kJ/mol-atom (oqmd-1591127).
Systems: Eu–Ni
Literature values
| Value | Phase as printed | T (K) | Class | Method | System | Source | Location | Quote |
|---|---|---|---|---|---|---|---|---|
| -15.6 kJ/mol (basis unstated) | Ni2Eu | 298.15 | experimental | Calorimetry | Eu–Ni | [1] Kardellass 2016 cites Berezutskii 2014 doi | Table 7, p. 13, row 7 report | |
| -16.36 kJ/mol (basis unstated) | Ni2Eu | model | Optimization | Eu–Ni | [1] Kardellass 2016 | Table 7, p. 13, row 6 report | ||
| -16.36 kJ/mol-atom | Ni2Eu | 298.15 | model | Optimization | Eu–Ni | [1] Kardellass 2016 | Table 4, p. 7, row 10 report | |
| -16.22 kJ/mol (basis unstated) | Ni2Eu | model | Optimization | Eu–Ni | [1] Kardellass 2016 | Table 7, p. 13, row 8 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 |
|---|---|---|---|---|---|---|---|---|
| -15.6 | kJ/mol (basis unstated) | 0.05 | 9.6 (solution_reaction_calorimetry, calibrated) | 9.6 | ||||
| -16.36 | kJ/mol (basis unstated) | 0.005 | 11.7 (model_calculated, calibrated) | 11.7 | ||||
| -16.36 | kJ/mol-atom | 0.005 | 3.9 (model_calculated, calibrated) | 3.9 | ||||
| -16.22 | kJ/mol (basis unstated) | 0.005 | 11.7 (model_calculated, calibrated) | 11.7 |
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-1591127 | -37.69 | -0.390629 | Fd-3m | 0 | 0 | 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
- Saïd Kardellass, Colette Servant, Najim Selhaoui, Thermodynamic description of the Ni–Yb and Ni–Eu binary systems, J Therm Anal Calorim 125, 255-269 (2016). doi:10.1007/s10973-016-5380-3