Ge5Yb3: enthalpy of formation

10 accepted literature formation-enthalpy value(s) (experimental 2, model 5, DFT 3); experimental median -49.8 kJ/mol-atom (n = 2); OQMD -58.344 kJ/mol-atom (oqmd-1823083).

Systems: Ge–Yb

Literature values

Enthalpy of formation of Ge5Yb3 reported in the literature (10)
Value	Phase as printed	T (K)	Class	Method	System	Source	Location
-49.8 kJ/mol-atom ± 13.2	Yb3Ge5	298.15	experimental	KEWL and KEMS	Ge–Yb	[1] Achgar 2018 cites Balducci 2007 doi	Table 2, p. 5, row 14 report
-49.8 kJ/mol-atom ± 13.2	Yb3Ge5	298.15	experimental	KE technique	Ge–Yb	[2] Dai-man 2018 cites Balducci 2007	Table 2, p. 4, row 14 report
-63 kJ/mol-atom	Yb3Ge5		model	Prediction	Ge–Yb	[1] Achgar 2018 cites De 1988	Table 2, p. 5, row 15 report
-63 kJ/mol-atom	Yb3Ge5	298.15	model	Miedema model	Ge–Yb	[2] Dai-man 2018 cites Grytsiv 2002	Table 2, p. 4, row 16 report
-60.952 kJ/mol-atom	Yb3Ge5		model	Optimization	Ge–Yb	[1] Achgar 2018	Table 2, p. 5, row 17 report
-59.3 kJ/mol-atom	Yb3Ge5	298.15	model	SCM	Ge–Yb	[2] Dai-man 2018	Table 2, p. 4, row 18 report
-56.426 kJ/mol-atom	Yb3Ge5		model	Optimization	Ge–Yb	[1] Achgar 2018	Table 2, p. 5, row 18 report
-56.1 kJ/mol-atom	Yb3Ge5	0	DFT	DFT calculation	Ge–Yb	[2] Dai-man 2018 cites Saal 2013	Table 2, p. 4, row 17 report
-55.9 kJ/mol-atom ± 6.2	Yb3Ge5		DFT	DFT	Ge–Yb	[1] Achgar 2018 cites Balducci 2007 doi	Table 2, p. 5, row 16 report
-55.9 kJ/mol-atom ± 6.2	Yb3Ge5	298.15	DFT	DFT calculation	Ge–Yb	[2] Dai-man 2018 cites Balducci 2007	Table 2, p. 4, row 15 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 Ge5Yb3
Value	Unit	Printed	Reading	Method (class, basis)	Effective
-49.8	kJ/mol-atom	13.2	0.05	4.2 (kems_vapour, calibrated)	13.2
-49.8	kJ/mol-atom	13.2	0.05	4.2 (kems_vapour, calibrated)	13.2
-63	kJ/mol-atom		0.5	3.9 (model_calculated, calibrated)	3.9
-63	kJ/mol-atom		0.05	3.9 (model_calculated, calibrated)	3.9
-60.952	kJ/mol-atom		5.000e-4	3.9 (model_calculated, calibrated)	3.9
-59.3	kJ/mol-atom		0.05	3.9 (model_calculated, calibrated)	3.9
-56.426	kJ/mol-atom		5.000e-4	3.9 (model_calculated, calibrated)	3.9
-56.1	kJ/mol-atom		0.05	8.395 (dft, calibrated)	8.395
-55.9	kJ/mol-atom	6.2	0.05	8.395 (dft, calibrated)	8.395
-55.9	kJ/mol-atom	6.2	0.05	8.395 (dft, calibrated)	8.395

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 Ge5Yb3
Source	Entry	kJ/mol-atom	eV/atom	Space group	E above hull (kJ/mol-atom)	E above hull (eV/atom)	Theoretical
OQMD	oqmd-1823083	-58.344	-0.604696	Cmcm	0.3539	0.0037	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

Khadija Achgar, Saïd Kardellass, Najim Selhaoui, Thermodynamic assessment of the Ytterbium–Germanium binary system, J Therm Anal Calorim 131, 443-453 (2018). doi:10.1007/s10973-017-6203-x
Zhu Dai-man, Li Chang-rong, Guo Cui-ping, Du Zhen-min, Thermodynamic assessment of the Ge-Yb binary system, Ferroelectrics 522, 80-87 (2018). doi:10.1080/00150193.2018.1392217

Please cite

R. Arróyave, J. Saal, D. Shin, ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature (version 2026.10; Version 1, machine-extracted), Zenodo (2026). doi:10.5281/zenodo.23735569
R. Arróyave, J. Saal, D. Shin, ORCHID-Parity: DFT-vs-experiment formation-enthalpy benchmark (version 2026.10; Version 1, machine-extracted), Zenodo (2026). doi:10.5281/zenodo.23735943
R. Arróyave, J. Saal, D. Shin, ORCHID data: umbrella record of the ORCHID datasets (version 2026.10; Version 1, machine-extracted), Zenodo (2026). doi:10.5281/zenodo.23736065

Also cite the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work); A. Jain et al., The Materials Project: A materials genome approach to accelerating materials innovation, APL Materials 1 (2013) 011002, https://doi.org/10.1063/1.4812323 (CC BY 4.0); J. E. Saal et al., JOM 65 (2013) 1501, https://doi.org/10.1007/s11837-013-0755-4 and S. Kirklin et al., npj Comput. Mater. 1 (2015) 15010, https://doi.org/10.1038/npjcompumats.2015.10 (CC BY 4.0); G. Kim, S. V. Meschel, P. Nash, W. Chen, Experimental formation enthalpies for intermetallic phases and other inorganic compounds, Scientific Data 4 (2017) 170162, https://doi.org/10.1038/sdata.2017.162; B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, https://doi.org/10.1016/j.calphad.2025.102833 (CC BY 4.0), and the original assessment named in each file. Version 1, machine-extracted: values were read by language-model readers constrained to quote their source and checked automatically, and the release was then audited on the printed pages by adversarial audits, an independent second review of fit-facing records and a preliminary human review of a frozen sample. Flags such as accepted and ESPEI-ready record screening results, not certification; known issues are listed in the release notes.

@misc{orchid_literature_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735569},
  url       = {https://doi.org/10.5281/zenodo.23735569},
  note      = {Version 1, machine-extracted}
}

@misc{orchid_dft_benchmark_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Parity: DFT-vs-experiment formation-enthalpy benchmark}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735943},
  url       = {https://doi.org/10.5281/zenodo.23735943},
  note      = {Version 1, machine-extracted}
}

@misc{orchid_data_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID data: umbrella record of the ORCHID datasets}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23736065},
  url       = {https://doi.org/10.5281/zenodo.23736065},
  note      = {Version 1, machine-extracted}
}