Ge31V17: enthalpy of formation

6 accepted literature formation-enthalpy value(s) (experimental 2, model 3, unspecified 1); experimental median -30.9 kJ/mol-atom (n = 2); Materials Project -19.309 kJ/mol-atom (mp-aaabmsmp).

Systems: Ge–V

Literature values

Enthalpy of formation of Ge31V17 reported in the literature (6)
Value	Phase as printed	T (K)	Class	Method	System	Source	Location
-35 kJ/mol-atom	V17Ge31	298.15	experimental	KEMS	Ge–V	[1] Yuan 2011 cites Zarembo 2000 doi	Table 3, p. 2, row 4 report
-26.8 kJ/mol-atom	V17Ge31	1073.15	experimental	emf	Ge–V	[1] Yuan 2011 cites Eremenko 1976	Table 3, p. 2, row 10 report
-35 kJ/mol-atom	V17Ge31	298.15	model	Calculated	Ge–V	[1] Yuan 2011	Table 3, p. 2, row 22 report
-32.4 kJ/mol-atom	V17Ge31	298.15	model	Calculated	Ge–V	[1] Yuan 2011 cites Wang 2008 doi	Table 3, p. 2, row 18 report
-26.2 kJ/mol-atom	V17Ge31	298.15	model	Calculated	Ge–V	[1] Yuan 2011 cites Smith 1981 doi	Table 3, p. 2, row 14 report
-35 kJ/mol-atom	V17Ge31		unspecified		Ge–V	[1] Yuan 2011	Table 3, p. 2, row 23 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 Ge31V17
Value	Unit	Reading	Method (class, basis)	Effective
-35	kJ/mol-atom	0.05	4.2 (kems_vapour, calibrated)	4.2
-26.8	kJ/mol-atom	0.05	4.6 (emf, cleaned_below_threshold)	4.6
-35	kJ/mol-atom	0.05	3.9 (model_calculated, calibrated)	3.9
-32.4	kJ/mol-atom	0.05	3.9 (model_calculated, calibrated)	3.9
-26.2	kJ/mol-atom	0.05	3.9 (model_calculated, calibrated)	3.9
-35	kJ/mol-atom	0.05	3.5 (unknown, calibrated)	3.5

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 Ge31V17
Source	Entry	kJ/mol-atom	eV/atom	Space group	E above hull (kJ/mol-atom)	E above hull (eV/atom)	Theoretical
Materials Project	mp-aaabmsmp	-19.309	-0.200119	P-4n2	1.3071	0.0135	no

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

Xiaoming Yuan, Weihua Sun, Yoonsung Chung, Honghui Xu, Shuhong Liu, Yong Du et al., Heat contents of the intermetallics V3Ge and V5Ge3 and thermodynamic modeling of the Ge–V system, Thermochimica Acta 513, 100-105 (2011). doi:10.1016/j.tca.2010.11.018

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}
}