Al2Sr: enthalpy of formation

14 accepted literature formation-enthalpy value(s) (DFT 14).

Literature values

Enthalpy of formation of Al2Sr reported in the literature (14)
Value	Phase as printed	Class	Method	System	Source	Location
-30.3 kJ/mol-atom	Al2Sr C15	DFT	First-principles	Al–Sr	[1] Zhong 2004	Table 3, p. 6, row 36 report
-29.8 kJ/mol-atom	Al2Sr C36	DFT	first-principles	Al–Sr	[1] Zhong 2004	Table 3, p. 6, row 8 report
-29.7 kJ/mol-atom	Al2Sr CeCu2-type	DFT	First-principles	Al–Sr	[1] Zhong 2004	Table 3, p. 6, row 31 report
-29 kJ/mol-atom	Al2Sr CeCu2-type	DFT	First-principles	Al–Sr	[1] Zhong 2004	Table 3, p. 6, row 34 report
-28.8 kJ/mol-atom	Al2Sr CeCu2-type	DFT	First-principles	Al–Sr	[1] Zhong 2004	Table 3, p. 6, row 35 report
-28.2 kJ/mol-atom	Al2Sr C14	DFT	first-principles	Al–Sr	[1] Zhong 2004	Table 3, p. 6, row 7 report
-27.9 kJ/mol-atom	Al2Sr CeCu2-type	DFT	First-principles	Al–Sr	[1] Zhong 2004	Table 3, p. 6, row 33 report
-27.4 kJ/mol-atom	Al2Sr CeCu2-type	DFT	First-principles	Al–Sr	[1] Zhong 2004	Table 3, p. 6, row 32 report
-27.2 kJ/mol-atom	Al2Sr C15	DFT	first-principles	Al–Sr	[1] Zhong 2004	Table 3, p. 6, row 17 report
-26 kJ/mol-atom	Al2Sr CaIn2-type	DFT	first-principles	Al–Sr	[1] Zhong 2004	Table 3, p. 6, row 10 report
-23 kJ/mol-atom	Al2Sr C32	DFT	first-principles	Al–Sr	[1] Zhong 2004	Table 3, p. 6, row 9 report
-8.2 kJ/mol-atom	Al2Sr MoPt2-type	DFT	first-principles	Al–Sr	[1] Zhong 2004	Table 3, p. 6, row 13 report
0.5 kJ/mol-atom	Al2Sr C16	DFT	first-principles	Al–Sr	[1] Zhong 2004	Table 3, p. 6, row 11 report
55.4 kJ/mol-atom	Al2Sr CaF2-type	DFT	first-principles	Al–Sr	[1] Zhong 2004	Table 3, p. 6, row 14 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 Al2Sr
Value	Unit	Reading	Method (class, basis)	Effective
-30.3	kJ/mol-atom	0.05	8.395 (dft, calibrated)	8.395
-29.8	kJ/mol-atom	0.05	8.395 (dft, calibrated)	8.395
-29.7	kJ/mol-atom	0.05	8.395 (dft, calibrated)	8.395
-29	kJ/mol-atom	0.05	8.395 (dft, calibrated)	8.395
-28.8	kJ/mol-atom	0.05	8.395 (dft, calibrated)	8.395
-28.2	kJ/mol-atom	0.05	8.395 (dft, calibrated)	8.395
-27.9	kJ/mol-atom	0.05	8.395 (dft, calibrated)	8.395
-27.4	kJ/mol-atom	0.05	8.395 (dft, calibrated)	8.395
-27.2	kJ/mol-atom	0.05	8.395 (dft, calibrated)	8.395
-26	kJ/mol-atom	0.05	8.395 (dft, calibrated)	8.395
-23	kJ/mol-atom	0.05	8.395 (dft, calibrated)	8.395
-8.2	kJ/mol-atom	0.05	8.395 (dft, calibrated)	8.395
0.5	kJ/mol-atom	0.05	8.395 (dft, calibrated)	8.395
55.4	kJ/mol-atom	0.05	8.395 (dft, calibrated)	8.395

Sources

Yu Zhong, C. Wolverton, Y. Austin Chang, Zi-Kui Liu, A combined CALPHAD/first-principles remodeling of the thermodynamics of Al–Sr: unsuspected ground state energies by “rounding up the (un)usual suspects”, Acta Materialia 52, 2739-2754 (2004). doi:10.1016/j.actamat.2004.02.022

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}
}