Co5Ge3: enthalpy of formation
26 accepted literature formation-enthalpy value(s) (experimental 11, model 15); experimental median -17.237 kJ/mol-atom (n = 7); OQMD -16.532 kJ/mol-atom (oqmd-1437178).
Systems: Co–Ge
Literature values
| Value | Phase as printed | T (K) | Class | Method | System | Source | Location | Quote |
|---|---|---|---|---|---|---|---|---|
| -20.136 per mol-atom ± 1179 | βCo5Ge3 | 1060 | experimental | Co–Ge | [1] Zeng 2019 cites Predel 1979 doi | Table 4, p. 9, row 19 report | ||
| -20.136 kJ/mol-atom | βCo5Ge3 | 1060 | experimental | Co–Ge | [2] Dong 2013 cites Predel 1979 doi | Table 6, p. 5, row 13 report | ||
| -19.6 kJ/mol-atom | βCo5Ge3 | 298.15 | experimental | direct synthesis calorimetry | Co–Ge | [2] Dong 2013 cites Kleppa 1990 | Table 5, p. 4, row 6 report | |
| -19 kJ/mol-atom | βCo5Ge3 | 298.15 | experimental | Co–Ge | [2] Dong 2013 cites Niessen 1983 doi | Table 5, p. 4, row 7 report | ||
| -17.237 per mol-atom ± 845 | βCo5Ge3 | 1060 | experimental | Co–Ge | [1] Zeng 2019 cites Predel 1979 doi | Table 4, p. 9, row 16 report | ||
| -17.237 kJ/mol-atom | βCo5Ge3 | 1060 | experimental | Co–Ge | [2] Dong 2013 cites Predel 1979 doi | Table 6, p. 5, row 11 report | ||
| -15.868 per mol-atom ± 1104 | βCo5Ge3 | 1060 | experimental | Co–Ge | [1] Zeng 2019 cites Predel 1979 doi | Table 4, p. 9, row 13 report | ||
| -15.868 kJ/mol-atom | βCo5Ge3 | 1060 | experimental | Co–Ge | [2] Dong 2013 cites Predel 1979 doi | Table 6, p. 5, row 9 report | ||
| -13.697 kJ/mol-atom ± 0.87 | α(Co)+βCo5Ge3 | 1060 | experimental | Co–Ge | [1] Zeng 2019 cites Predel 1979 doi | Table 4, p. 9, row 10 report | ||
| -13.697 per mol-atom ± 870 | α(Co) + βCo5Ge3 | 1060 | experimental | Co–Ge | [1] Zeng 2019 cites Predel 1979 doi | Table 4, p. 9, row 10 report | ||
| -13.697 kJ/mol-atom | α(Co) + βCo5Ge3 | 1060 | experimental | Co–Ge | [2] Dong 2013 cites Predel 1979 doi | Table 6, p. 5, row 7 report | ||
| -18.665 kJ/mol-atom | βCo5Ge3 | 1060 | model | Co–Ge | [2] Dong 2013 | Table 6, p. 5, row 14 report | ||
| -18.381 per mol-atom | βCo5Ge3 | 1060 | model | Co–Ge | [1] Zeng 2019 | Table 4, p. 9, row 18 report | ||
| -18.279 kJ/mol-atom | βCo5Ge3 | 298.15 | model | Co–Ge | [2] Dong 2013 | Table 5, p. 4, row 8 report | ||
| -18.16 per mol-atom | βCo5Ge3 | 1060 | model | Co–Ge | [1] Zeng 2019 | Table 4, p. 9, row 20 report | ||
| -17.185 per mol-atom | βCo5Ge3 | 1060 | model | Co–Ge | [1] Zeng 2019 | Table 4, p. 9, row 15 report | ||
| -16.665 per mol-atom | βCo5Ge3 | 1060 | model | Co–Ge | [1] Zeng 2019 | Table 4, p. 9, row 17 report | ||
| -16.171 kJ/mol-atom | βCo5Ge3 | 1060 | model | Co–Ge | [2] Dong 2013 | Table 6, p. 5, row 12 report | ||
| -15.844 per mol-atom | α(Co) + βCo5Ge3 | 1060 | model | Co–Ge | [1] Zeng 2019 | Table 4, p. 9, row 12 report | ||
| -15.844 kJ/mol-atom | α(Co)+βCo5Ge3 | 1060 | model | Co–Ge | [1] Zeng 2019 | Table 4, p. 9, row 12 report | ||
| -15.124 per mol-atom | βCo5Ge3 | 1060 | model | Co–Ge | [1] Zeng 2019 | Table 4, p. 9, row 14 report | ||
| -14.314 kJ/mol-atom | βCo5Ge3 | 1060 | model | Co–Ge | [2] Dong 2013 | Table 6, p. 5, row 10 report | ||
| -13.797 per mol-atom | α(Co) + βCo5Ge3 | 1060 | model | Co–Ge | [1] Zeng 2019 | Table 4, p. 9, row 11 report | ||
| -13.797 kJ/mol-atom | α(Co)+βCo5Ge3 | 1060 | model | Co–Ge | [1] Zeng 2019 | Table 4, p. 9, row 11 report | ||
| -13.161 kJ/mol-atom | α(Co) + βCo5Ge3 | 1060 | model | Co–Ge | [2] Dong 2013 | Table 6, p. 5, row 8 report | ||
| -10.994 per mol-atom | βCo5Ge3 | 1060 | model | Co–Ge | [1] Zeng 2019 | Table 4, p. 9, row 21 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 |
|---|---|---|---|---|---|---|---|---|
| -20.136 | per mol-atom | 1179 | 5.000e-4 | unit 'per mol-atom' not convertible to kJ/mol-atom | 1179 | |||
| -20.136 | kJ/mol-atom | 5.000e-4 | 3.5 (unknown, calibrated) | 3.5 | ||||
| -19.6 | kJ/mol-atom | 5.000e-4 | 3.2 (solution_reaction_calorimetry, calibrated) | 3.2 | ||||
| -19 | kJ/mol-atom | 5.000e-4 | 3.5 (unknown, calibrated) | 3.5 | ||||
| -17.237 | per mol-atom | 845 | 5.000e-4 | unit 'per mol-atom' not convertible to kJ/mol-atom | 845 | |||
| -17.237 | kJ/mol-atom | 5.000e-4 | 3.5 (unknown, calibrated) | 3.5 | ||||
| -15.868 | per mol-atom | 1104 | 5.000e-4 | unit 'per mol-atom' not convertible to kJ/mol-atom | 1104 | |||
| -15.868 | kJ/mol-atom | 5.000e-4 | 3.5 (unknown, calibrated) | 3.5 | ||||
| -13.697 | kJ/mol-atom | 0.87 | 5.000e-4 | 3.5 (unknown, calibrated) | 3.5 | |||
| -13.697 | per mol-atom | 870 | 5.000e-4 | unit 'per mol-atom' not convertible to kJ/mol-atom | 870 | |||
| -13.697 | kJ/mol-atom | 5.000e-4 | 3.5 (unknown, calibrated) | 3.5 | ||||
| -18.665 | kJ/mol-atom | 5.000e-4 | 3.9 (model_calculated, calibrated) | 3.9 | ||||
| -18.381 | per mol-atom | 5.000e-4 | unit 'per mol-atom' not convertible to kJ/mol-atom | unit 'per mol-atom' not convertible to kJ/mol-atom | ||||
| -18.279 | kJ/mol-atom | 5.000e-4 | 3.9 (model_calculated, calibrated) | 3.9 | ||||
| -18.16 | per mol-atom | 5.000e-4 | unit 'per mol-atom' not convertible to kJ/mol-atom | unit 'per mol-atom' not convertible to kJ/mol-atom | ||||
| -17.185 | per mol-atom | 5.000e-4 | unit 'per mol-atom' not convertible to kJ/mol-atom | unit 'per mol-atom' not convertible to kJ/mol-atom | ||||
| -16.665 | per mol-atom | 5.000e-4 | unit 'per mol-atom' not convertible to kJ/mol-atom | unit 'per mol-atom' not convertible to kJ/mol-atom | ||||
| -16.171 | kJ/mol-atom | 5.000e-4 | 3.9 (model_calculated, calibrated) | 3.9 | ||||
| -15.844 | per mol-atom | 5.000e-4 | unit 'per mol-atom' not convertible to kJ/mol-atom | unit 'per mol-atom' not convertible to kJ/mol-atom | ||||
| -15.844 | kJ/mol-atom | 5.000e-4 | 3.9 (model_calculated, calibrated) | 3.9 | ||||
| -15.124 | per mol-atom | 5.000e-4 | unit 'per mol-atom' not convertible to kJ/mol-atom | unit 'per mol-atom' not convertible to kJ/mol-atom | ||||
| -14.314 | kJ/mol-atom | 5.000e-4 | 3.9 (model_calculated, calibrated) | 3.9 | ||||
| -13.797 | per mol-atom | 5.000e-4 | unit 'per mol-atom' not convertible to kJ/mol-atom | unit 'per mol-atom' not convertible to kJ/mol-atom | ||||
| -13.797 | kJ/mol-atom | 5.000e-4 | 3.9 (model_calculated, calibrated) | 3.9 | ||||
| -13.161 | kJ/mol-atom | 5.000e-4 | 3.9 (model_calculated, calibrated) | 3.9 | ||||
| -10.994 | per mol-atom | 5.000e-4 | unit 'per mol-atom' not convertible to kJ/mol-atom | unit 'per mol-atom' not convertible to kJ/mol-atom |
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-1437178 | -16.532 | -0.171339 | C2 | 0.786 | 0.0081 | 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
- Yinping Zeng, Yong Du, Han Li, Peng Zhou, Shuhong Liu, Kaiming Cheng et al., Thermodynamic description and solidified microstructure of the Co-Ge system, Journal of Alloys and Compounds 793, 480-491 (2019). doi:10.1016/j.jallcom.2018.12.205
- S.S. Dong, S.G. Liu, X.M. Tao, F.H. Xiao, L.H. Huang, F. Yang et al., Thermodynamic optimization of Co–Ge binary system, Thermochimica Acta 572, 94-100 (2013). doi:10.1016/j.tca.2013.08.026