AuSb: enthalpy of formation
3 accepted literature formation-enthalpy value(s) (experimental 3); experimental median -4.351 kJ/mol-atom (n = 3); OQMD -5.168 kJ/mol-atom (oqmd-1105404).
Systems: Au–Sb
Literature values
| Value | Phase as printed | T (K) | Class | Method | System | Source | Location | Quote |
|---|---|---|---|---|---|---|---|---|
| -4.895 kJ/mol-atom | AuSb | 363 | experimental | calorimetrically | Au–Sb | [1] Chevalier 1989 cites Biltz 1934 | p. 3 report | The heat of formation of the intermetallic compound AuSb, referred to the pure solid components was measured calorimetrically by: Jena and Bever [16], T = 273 K, AH = - 4351 J (g at.))'; by Kleppa [17], T = 723 K, AH = - 3138 J (g at.)-'; and by Biltz et al. [18], T = 363 K, AH = - 4895 J (g at.))'. |
| -4.351 kJ/mol-atom | AuSb | 273 | experimental | calorimetrically | Au–Sb | [1] Chevalier 1989 cites Jena 1968 | p. 3 report | The heat of formation of the intermetallic compound AuSb, referred to the pure solid components was measured calorimetrically by: Jena and Bever [16], T = 273 K, AH = - 4351 J (g at.))'; by Kleppa [17], T = 723 K, AH = - 3138 J (g at.)-'; and by Biltz et al. [18], T = 363 K, AH = - 4895 J (g at.))'. |
| -3.138 kJ/mol-atom | AuSb | 723 | experimental | calorimetrically | Au–Sb | [1] Chevalier 1989 cites Kleppa 1956 doi | p. 3 report | The heat of formation of the intermetallic compound AuSb, referred to the pure solid components was measured calorimetrically by: Jena and Bever [16], T = 273 K, AH = - 4351 J (g at.))'; by Kleppa [17], T = 723 K, AH = - 3138 J (g at.)-'; and by Biltz et al. [18], T = 363 K, AH = - 4895 J (g at.))'. |
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 |
|---|---|---|---|---|---|---|---|---|
| -4.895 | kJ/mol-atom | 5.000e-4 | 3.2 (solution_reaction_calorimetry, calibrated) | 3.2 | ||||
| -4.351 | kJ/mol-atom | 5.000e-4 | 3.2 (solution_reaction_calorimetry, calibrated) | 3.2 | ||||
| -3.138 | kJ/mol-atom | 5.000e-4 | 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-1105404 | -5.168 | -0.053566 | Fm-3m | 0.2764 | 0.0029 | 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
- Pierre-Yves Chevalier, A thermodynamic evaluation of the Au-Sb and Au-Tl systems, Thermochimica Acta 155, 211-225 (1989). doi:10.1016/0040-6031(89)87147-3