AsGa: enthalpy of formation

17 accepted literature formation-enthalpy value(s) (experimental 12, model 4, unspecified 1).

Literature values

Enthalpy of formation of AsGa reported in the literature (17)
Value	Phase as printed	T (K)	Class	Method	System	Source	Location
-53.12 kJ/mol (basis unstated) ± 4	Ga0.5As0.5(c)	298.15	experimental	Mass spectrometry	As–Ga	[1] Ansara 1984 cites ref. 21	Table II, p. 4, row 9 report
-48.55 kJ/mol (basis unstated) ± 4	Ga0.5As0.5(c)	298.15	experimental	Flow equilibration	As–Ga	[1] Ansara 1984 cites ref. 23	Table II, p. 4, row 12 report
-47.1 kJ/mol (basis unstated) ± 4	Ga0.5As0.5(c)	298.15	experimental	Mass spectrometry	As–Ga	[1] Ansara 1984 cites ref. 20	Table II, p. 4, row 7 report
-46.22 kJ/mol (basis unstated) ± 4	Ga0.5As0.5(c)	298.15	experimental	Mass spectrometry	As–Ga	[1] Ansara 1984 cites ref. 19	Table II, p. 4, row 6 report
-46.15 kJ/mol (basis unstated) ± 4	Ga0.5As0.5(c)	298.15	experimental	Mass spectrometry	As–Ga	[1] Ansara 1984 cites ref. 22	Table II, p. 4, row 10 report
-46.02 kJ/mol (basis unstated) ± 4	Ga0.5As0.5(c)	298.15	experimental		As–Ga	[1] Ansara 1984 cites ref. 18	Table II, p. 4, row 5 report
-46.02 kJ/mol (basis unstated) ± 4	Ga0.5As0.5(c)	298.15	experimental	Mass spectrometry	As–Ga	[1] Ansara 1984 cites ref. 21	Table II, p. 4, row 8 report
-45.22 kJ/mol (basis unstated) ± 4	Ga0.5As0.5(c)	298.15	experimental	Mass spectrometry	As–Ga	[1] Ansara 1984 cites ref. 22	Table II, p. 4, row 11 report
-43.85 kJ/mol (basis unstated) ± 2	Ga0.5As0.5(c)	298.15	experimental	E.M.F.	As–Ga	[1] Ansara 1984 cites ref. 16	Table II, p. 4, row 3 report
-39.75 kJ/mol (basis unstated) ± 1.7	Ga0.5As0.5(c)	298.15	experimental	E.M.F.	As–Ga	[1] Ansara 1984 cites ref. 17	Table II, p. 4, row 4 report
-39.68 kJ/mol (basis unstated) ± 0.6	Ga0.5As0.5(c)	298.15	experimental	Solution calorimetry	As–Ga	[1] Ansara 1984 cites ref. 14	Table II, p. 4, row 1 report
-39.32 kJ/mol (basis unstated) ± 4	Ga0.5As0.5(c)	298.15	experimental	E.M.F.	As–Ga	[1] Ansara 1984 cites ref. 15	Table II, p. 4, row 2 report
-105.3 kJ/mol (basis unstated)	GaAs	298.15	model		As–Ga	[2] Onderka 2002 cites Yamaguchi 1996	Table AI, p. 18, row 52 report
-88.8 kJ/mol (basis unstated)	GaAs	298.15	model		As–Ga	[2] Onderka 2002 cites Ansara 1994	Table AI, p. 18, row 51 report
-86.3 kJ/mol (basis unstated)	GaAs	298.15	model		As–Ga	[2] Onderka 2002 cites Kaufman 1981	Table AI, p. 18, row 50 report
-44.4256 kJ/mol (basis unstated)	Ga0.5As0.5(s)	298.15	model		As–Ga	[3] Chatillon 1990	Table 4, p. 11, row 4 report
-71.1 kJ/mol (basis unstated)	GaAs	298.15	unspecified		As–Ga	[2] Onderka 2002 cites Wagman 1968	Table AI, p. 18, row 53 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 AsGa
Value	Unit	Printed	Reading	Method (class, basis)	Effective
-53.12	kJ/mol (basis unstated)	4	0.005	4.2 (kems_vapour, calibrated)	4.2
-48.55	kJ/mol (basis unstated)	4	0.005	4.1 (experimental_unspecified, cleaned_below_threshold)	4.1
-47.1	kJ/mol (basis unstated)	4	0.05	4.2 (kems_vapour, calibrated)	4.2
-46.22	kJ/mol (basis unstated)	4	0.005	4.2 (kems_vapour, calibrated)	4.2
-46.15	kJ/mol (basis unstated)	4	0.005	4.2 (kems_vapour, calibrated)	4.2
-46.02	kJ/mol (basis unstated)	4	0.005	3.5 (unknown, calibrated)	4
-46.02	kJ/mol (basis unstated)	4	0.005	4.2 (kems_vapour, calibrated)	4.2
-45.22	kJ/mol (basis unstated)	4	0.005	4.2 (kems_vapour, calibrated)	4.2
-43.85	kJ/mol (basis unstated)	2	0.005	4.6 (emf, cleaned_below_threshold)	4.6
-39.75	kJ/mol (basis unstated)	1.7	0.005	4.6 (emf, cleaned_below_threshold)	4.6
-39.68	kJ/mol (basis unstated)	0.6	0.005	3.2 (solution_reaction_calorimetry, calibrated)	3.2
-39.32	kJ/mol (basis unstated)	4	0.005	4.6 (emf, cleaned_below_threshold)	4.6
-105.3	kJ/mol (basis unstated)		0.05	7.8 (model_calculated, calibrated)	7.8
-88.8	kJ/mol (basis unstated)		0.05	7.8 (model_calculated, calibrated)	7.8
-86.3	kJ/mol (basis unstated)		0.05	7.8 (model_calculated, calibrated)	7.8
-44.4256	kJ/mol (basis unstated)		5.000e-5	3.9 (model_calculated, calibrated)	3.9
-71.1	kJ/mol (basis unstated)		0.05	7 (unknown, calibrated)	7

Sources

I. Ansara, D. Dutartre, Thermodynamic study of the Al-Ga-As-Ge system, Calphad 8, 323-342 (1984). doi:10.1016/0364-5916(84)90035-x
B. Onderka, J. Unland, R. Schmid-Fetzer, Thermodynamics and phase stability in the In–N system, J. Mater. Res. 17, 3065-3083 (2002). doi:10.1557/jmr.2002.0445
C. Chatillon, I. Ansara, A. Watson, B.B. Argent, Re-assessment of the thermodynamic properties and phase diagrams of the Ga-As and In-As systems, Calphad 14, 203-214 (1990). doi:10.1016/0364-5916(90)90021-q

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}
}