Sn3U: enthalpy of formation

14 accepted literature formation-enthalpy value(s) (experimental 12, unspecified 2); experimental median -39.7 kJ/mol-atom (n = 6); Materials Project -12.058 kJ/mol-atom (mp-aaaabece); OQMD -19.098 kJ/mol-atom (oqmd-18132).

Systems: Sn–U

Literature values

Enthalpy of formation of Sn3U reported in the literature (14)
Value	Phase as printed	T (K)	Class	Method	System	Source	Location	Quote
-43.47 kJ/mol-atom	USn3	794.15	experimental		Sn–U	[1] Wang 2021 cites Colinet 1988 doi	Table 1, p. 3, row 10 report
-43.47 kJ/mol (basis unstated)	USn3	794.15	experimental	solution calorimetry analysis	Sn–U	[1] Wang 2021 cites Colinet 1988 doi	p. 2 report	Colinet et al.[26] reported the enthalpy of formation of USn3 as - 35.3 kJ mol-1 at 25 C and - 43.47 kJ mol-1 at 521 C characterized by solution calorimetry analysis.
-43.2 kJ/mol-atom	USn3	794.15	experimental		Sn–U	[1] Wang 2021 cites Pattanaik 2013 doi	Table 1, p. 3, row 11 report
-42.9 kJ/mol-atom	USn3	965.15	experimental		Sn–U	[1] Wang 2021 cites Kadochnikov 1976	Table 1, p. 3, row 12 report
-41.8 kJ/mol (basis unstated)	USn3	794.15	experimental	emf measurements	Sn–U	[1] Wang 2021 cites Johnson 1962	p. 2 report	Johnson et al.[24] reported the enthalpy of formation of USn3 as - 36.5 kJ mol-1 at 25 C and - 41.8 kJ mol-1 at 521 C using emf measurements.
-36.5 kJ/mol (basis unstated)	USn3	298.15	experimental	emf measurements	Sn–U	[1] Wang 2021 cites Johnson 1962	p. 2 report	Johnson et al.[24] reported the enthalpy of formation of USn3 as - 36.5 kJ mol-1 at 25 C and - 41.8 kJ mol-1 at 521 C using emf measurements.
-36.5 kJ/mol-atom	USn3	298.15	experimental		Sn–U	[1] Wang 2021 cites Johnson 1962	Table 1, p. 3, row 6 report
-35.3 kJ/mol (basis unstated)	USn3	298.15	experimental	solution calorimetry analysis	Sn–U	[1] Wang 2021 cites Colinet 1988 doi	p. 2 report	Colinet et al.[26] reported the enthalpy of formation of USn3 as - 35.3 kJ mol-1 at 25 C and - 43.47 kJ mol-1 at 521 C characterized by solution calorimetry analysis.
-35.3 kJ/mol-atom	USn3	298.15	experimental		Sn–U	[1] Wang 2021 cites Colinet 1988 doi	Table 1, p. 3, row 7 report
-24.06 kJ/mol (basis unstated)	USn3	794.15	experimental	vapor pressure	Sn–U	[1] Wang 2021 cites Alcock 1962	p. 2 report	For the thermodynamic properties of U-Sn binary system, Alcock et al.[22] reported the enthalpy of formation of USn3 as - 22.59 kJ mol-1 at 25 C using acid dissociation calorimetry and - 24.06 kJ mol-1 at 521 C using vapor pressure.
-24.06 kJ/mol-atom	USn3	794.15	experimental		Sn–U	[1] Wang 2021 cites Alcock 1962	Table 1, p. 3, row 8 report
-22.59 kJ/mol (basis unstated)	USn3	298.15	experimental	acid dissociation calorimetry	Sn–U	[1] Wang 2021 cites Alcock 1962	p. 2 report	For the thermodynamic properties of U-Sn binary system, Alcock et al.[22] reported the enthalpy of formation of USn3 as - 22.59 kJ mol-1 at 25 C using acid dissociation calorimetry and - 24.06 kJ mol-1 at 521 C using vapor pressure.
-41.8 kJ/mol-atom	USn3	794.15	unspecified		Sn–U	[1] Wang 2021 cites Sheldon 1987 doi	Table 1, p. 3, row 9 report
-22.59 kJ/mol-atom	USn3	298.15	unspecified		Sn–U	[1] Wang 2021 cites Palenzona 1995 doi	Table 1, p. 3, row 5 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 Sn3U
Value	Unit	Reading	Method (class, basis)	Effective
-43.47	kJ/mol-atom	0.005	3.5 (unknown, calibrated)	3.5
-43.47	kJ/mol (basis unstated)	0.005	12.8 (solution_reaction_calorimetry, calibrated)	12.8
-43.2	kJ/mol-atom	0.05	3.5 (unknown, calibrated)	3.5
-42.9	kJ/mol-atom	0.05	3.5 (unknown, calibrated)	3.5
-41.8	kJ/mol (basis unstated)	0.05	18.4 (emf, cleaned_below_threshold)	18.4
-36.5	kJ/mol (basis unstated)	0.05	18.4 (emf, cleaned_below_threshold)	18.4
-36.5	kJ/mol-atom	0.05	3.5 (unknown, calibrated)	3.5
-35.3	kJ/mol (basis unstated)	0.05	12.8 (solution_reaction_calorimetry, calibrated)	12.8
-35.3	kJ/mol-atom	0.05	3.5 (unknown, calibrated)	3.5
-24.06	kJ/mol (basis unstated)	0.005	16.8 (kems_vapour, calibrated)	16.8
-24.06	kJ/mol-atom	0.005	3.5 (unknown, calibrated)	3.5
-22.59	kJ/mol (basis unstated)	0.005	12.8 (solution_reaction_calorimetry, calibrated)	12.8
-41.8	kJ/mol-atom	0.05	3.5 (unknown, calibrated)	3.5
-22.59	kJ/mol-atom	0.005	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 Sn3U
Source	Entry	kJ/mol-atom	eV/atom	Space group	E above hull (kJ/mol-atom)	E above hull (eV/atom)	Theoretical
Materials Project	mp-aaaabece	-12.058	-0.12497	Pm-3m	0	0	no
OQMD	oqmd-18132	-19.098	-0.197936	Pm-3m	0	0	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

Jun Wang, Yuan Yuan, Xiongying Cheng, Qin Zhang, Rongjian Pan, Aitao Tang, Thermodynamic Assessment of the U-Sn System and Extension to the U-Zr-Sn System, J. Phase Equilib. Diffus. 42, 194-205 (2021). doi:10.1007/s11669-021-00872-2

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}
}