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

Enthalpy of formation of Co5Ge3 reported in the literature (26)
ValuePhase as printedT (K)ClassMethodSystemSourceLocationQuote
-20.136 per mol-atom ± 1179βCo5Ge31060experimentalCo–Ge[1] Zeng 2019
cites Predel 1979 doi
Table 4, p. 9, row 19
report
-20.136 kJ/mol-atomβCo5Ge31060experimentalCo–Ge[2] Dong 2013
cites Predel 1979 doi
Table 6, p. 5, row 13
report
-19.6 kJ/mol-atomβCo5Ge3298.15experimentaldirect synthesis calorimetryCo–Ge[2] Dong 2013
cites Kleppa 1990
Table 5, p. 4, row 6
report
-19 kJ/mol-atomβCo5Ge3298.15experimentalCo–Ge[2] Dong 2013
cites Niessen 1983 doi
Table 5, p. 4, row 7
report
-17.237 per mol-atom ± 845βCo5Ge31060experimentalCo–Ge[1] Zeng 2019
cites Predel 1979 doi
Table 4, p. 9, row 16
report
-17.237 kJ/mol-atomβCo5Ge31060experimentalCo–Ge[2] Dong 2013
cites Predel 1979 doi
Table 6, p. 5, row 11
report
-15.868 per mol-atom ± 1104βCo5Ge31060experimentalCo–Ge[1] Zeng 2019
cites Predel 1979 doi
Table 4, p. 9, row 13
report
-15.868 kJ/mol-atomβCo5Ge31060experimentalCo–Ge[2] Dong 2013
cites Predel 1979 doi
Table 6, p. 5, row 9
report
-13.697 kJ/mol-atom ± 0.87α(Co)+βCo5Ge31060experimentalCo–Ge[1] Zeng 2019
cites Predel 1979 doi
Table 4, p. 9, row 10
report
-13.697 per mol-atom ± 870α(Co) + βCo5Ge31060experimentalCo–Ge[1] Zeng 2019
cites Predel 1979 doi
Table 4, p. 9, row 10
report
-13.697 kJ/mol-atomα(Co) + βCo5Ge31060experimentalCo–Ge[2] Dong 2013
cites Predel 1979 doi
Table 6, p. 5, row 7
report
-18.665 kJ/mol-atomβCo5Ge31060modelCo–Ge[2] Dong 2013Table 6, p. 5, row 14
report
-18.381 per mol-atomβCo5Ge31060modelCo–Ge[1] Zeng 2019Table 4, p. 9, row 18
report
-18.279 kJ/mol-atomβCo5Ge3298.15modelCo–Ge[2] Dong 2013Table 5, p. 4, row 8
report
-18.16 per mol-atomβCo5Ge31060modelCo–Ge[1] Zeng 2019Table 4, p. 9, row 20
report
-17.185 per mol-atomβCo5Ge31060modelCo–Ge[1] Zeng 2019Table 4, p. 9, row 15
report
-16.665 per mol-atomβCo5Ge31060modelCo–Ge[1] Zeng 2019Table 4, p. 9, row 17
report
-16.171 kJ/mol-atomβCo5Ge31060modelCo–Ge[2] Dong 2013Table 6, p. 5, row 12
report
-15.844 per mol-atomα(Co) + βCo5Ge31060modelCo–Ge[1] Zeng 2019Table 4, p. 9, row 12
report
-15.844 kJ/mol-atomα(Co)+βCo5Ge31060modelCo–Ge[1] Zeng 2019Table 4, p. 9, row 12
report
-15.124 per mol-atomβCo5Ge31060modelCo–Ge[1] Zeng 2019Table 4, p. 9, row 14
report
-14.314 kJ/mol-atomβCo5Ge31060modelCo–Ge[2] Dong 2013Table 6, p. 5, row 10
report
-13.797 per mol-atomα(Co) + βCo5Ge31060modelCo–Ge[1] Zeng 2019Table 4, p. 9, row 11
report
-13.797 kJ/mol-atomα(Co)+βCo5Ge31060modelCo–Ge[1] Zeng 2019Table 4, p. 9, row 11
report
-13.161 kJ/mol-atomα(Co) + βCo5Ge31060modelCo–Ge[2] Dong 2013Table 6, p. 5, row 8
report
-10.994 per mol-atomβCo5Ge31060modelCo–Ge[1] Zeng 2019Table 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.

Uncertainty budget of the literature values of Co5Ge3
ValueUnitPrintedReadingMethod (class, basis)CompositionScatterConversionEffective
-20.136per mol-atom11795.000e-4unit 'per mol-atom' not convertible to kJ/mol-atom1179
-20.136kJ/mol-atom5.000e-43.5 (unknown, calibrated)3.5
-19.6kJ/mol-atom5.000e-43.2 (solution_reaction_calorimetry, calibrated)3.2
-19kJ/mol-atom5.000e-43.5 (unknown, calibrated)3.5
-17.237per mol-atom8455.000e-4unit 'per mol-atom' not convertible to kJ/mol-atom845
-17.237kJ/mol-atom5.000e-43.5 (unknown, calibrated)3.5
-15.868per mol-atom11045.000e-4unit 'per mol-atom' not convertible to kJ/mol-atom1104
-15.868kJ/mol-atom5.000e-43.5 (unknown, calibrated)3.5
-13.697kJ/mol-atom0.875.000e-43.5 (unknown, calibrated)3.5
-13.697per mol-atom8705.000e-4unit 'per mol-atom' not convertible to kJ/mol-atom870
-13.697kJ/mol-atom5.000e-43.5 (unknown, calibrated)3.5
-18.665kJ/mol-atom5.000e-43.9 (model_calculated, calibrated)3.9
-18.381per mol-atom5.000e-4unit 'per mol-atom' not convertible to kJ/mol-atomunit 'per mol-atom' not convertible to kJ/mol-atom
-18.279kJ/mol-atom5.000e-43.9 (model_calculated, calibrated)3.9
-18.16per mol-atom5.000e-4unit 'per mol-atom' not convertible to kJ/mol-atomunit 'per mol-atom' not convertible to kJ/mol-atom
-17.185per mol-atom5.000e-4unit 'per mol-atom' not convertible to kJ/mol-atomunit 'per mol-atom' not convertible to kJ/mol-atom
-16.665per mol-atom5.000e-4unit 'per mol-atom' not convertible to kJ/mol-atomunit 'per mol-atom' not convertible to kJ/mol-atom
-16.171kJ/mol-atom5.000e-43.9 (model_calculated, calibrated)3.9
-15.844per mol-atom5.000e-4unit 'per mol-atom' not convertible to kJ/mol-atomunit 'per mol-atom' not convertible to kJ/mol-atom
-15.844kJ/mol-atom5.000e-43.9 (model_calculated, calibrated)3.9
-15.124per mol-atom5.000e-4unit 'per mol-atom' not convertible to kJ/mol-atomunit 'per mol-atom' not convertible to kJ/mol-atom
-14.314kJ/mol-atom5.000e-43.9 (model_calculated, calibrated)3.9
-13.797per mol-atom5.000e-4unit 'per mol-atom' not convertible to kJ/mol-atomunit 'per mol-atom' not convertible to kJ/mol-atom
-13.797kJ/mol-atom5.000e-43.9 (model_calculated, calibrated)3.9
-13.161kJ/mol-atom5.000e-43.9 (model_calculated, calibrated)3.9
-10.994per mol-atom5.000e-4unit 'per mol-atom' not convertible to kJ/mol-atomunit '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.

DFT formation energy of Co5Ge3
SourceEntrykJ/mol-atomeV/atomSpace groupE above hull (kJ/mol-atom)E above hull (eV/atom)Theoretical
OQMDoqmd-1437178-16.532-0.171339C20.7860.0081yes

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

  1. 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
  2. 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