Al–O system

9 accepted literature values from 2 paper(s) (model 3, DFT 3, unspecified 3); 3 calculated phase diagram(s). 4 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (9) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
model	3
DFT	3
unspecified	3

Accepted values by property group
Property group	Values
invariant reaction	2
phase transition	1
formation	4
heat capacity / entropy / enthalpy	2

Calculated phase diagrams

Binary phase diagrams calculated with pycalphad 0.11.2 from the SGTE binary collection (Hallstedt 2025, CC BY 4.0). Evidence class: model.

Assessments with a calculated phase diagram
TDB file	Assessment	SHA-256	Links
AlO-23Li.tdb	X.-J. Li, S.-H. Liu, J. Mining Metall. B, 59, 395-405(2023). doi:10.2298/JMMB230621034L	`b626da52ef13746e934b0e8fbf38d8f347d0afb948412f53c5d0e360c8562520`	viewer · TDB · JSON
AlO-92Tay.tdb	J.R. Taylor, A.T. Dinsdale, M. Hillert, M. Selleby, Calphad, 16, 173-79(1992). doi:10.1016/0364-5916(92)90005-I	`f56b31da71628e6263b49bbb2d1b9212c45b3650a3ee44087f51fefff38fd203`	viewer · TDB · JSON
AlO-93Hal-LB.tdb	B. Hallstedt, J. Phase Equilib., 14, 662-75(1993). doi:10.1007/BF02667878	`3893b53d655fc07cd6e68be40fc0a29cde12c47cbf164116298f5f4c2d2dd0ff`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
AlO-92Tay.tdb	2492.41	ION#2 (x(O) 9.200e-4) + GAS (x(O) 0.30626) + ION (x(O) 0.59967)
AlO-92Tay.tdb	2327	CORUNDUM_D51 (x(O) 0.6) + ION (x(O) 0.6) + GAS (x(O) 1)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull AlO-92Tay · CALPHAD hull AlO-93Hal-LB

Invariant reactions (literature)

Invariant reactions reported in the literature for the Al–O system (2)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location	Quote
2326.09	Al2O3(l) = Al(l) + Al2O3(cor)	Al2O3(l): O 0.59973; Al(l): O 7.557e-4	unspecified	[1] Taylor 1992	Table 2, p. 7, row 2 report
933.47	Al(l) = Al(fcc) + Al2O3(cor)	Al(l): O 7.051e-7	unspecified	[1] Taylor 1992	Table 2, p. 7, row 1 report

Formation enthalpies

Literature values in kJ/mol-atom where the per-atom basis is known. DFT columns: the lowest-energy entry at the same composition (Materials Project 2026.04.13, OQMD v1.8; different energy references, never averaged), from dft_parity.json.

Enthalpies of formation, Al–O system (4)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
Al2O3	Al2O3	-335.14 kJ/mol-atom		model	-330.611 (mp-aaaaabrz)	-315.03 (oqmd-1234774)	[2] Li 2023	Table 5, p. 6, row 2 report
Al2O3		-329.86 kJ/mol-atom		DFT			[2] Li 2023	Table 3, p. 5, row 6 report
Al2O3		-313.44 kJ/mol-atom		DFT			[2] Li 2023	Table 3, p. 5, row 5 report
Al2O3		-294.24 kJ/mol-atom	0	DFT			[2] Li 2023	Table 3, p. 5, row 4 report

Other properties

Phase transition (1)

Phase transition, Al–O system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	2327 K	2327	Al2O3(l) = Al2O3(cor) Al2O3(l): O 0.6	unspecified	[1] Taylor 1992	Table 2, p. 7, row 4 report

Heat capacity / entropy / enthalpy (2)

Heat capacity / entropy / enthalpy, Al–O system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Entropy printed: Standard entropy	50.7 J/mol (basis unstated)/K		Al2O3 alloy: O 0.6	model	[2] Li 2023	Table 5, p. 6, row 2 report
Heat capacity printed: Heat capacity at 298.15 K	15.38 J/mol-atom/K	298.15	Al2O3 alloy: O 0.6	model	[2] Li 2023	Table 5, p. 6, row 2 report

Sources

Reporting papers the values were read from (a value cited from another work names that work in its row).

J R Taylor, A T Dinsdale, M Hilleit, M Selleby, A Critical Assessment of Thermodynamic and Phase Diagram Data for the Al-O System, Calphad 16, 173-179 (1992). doi:10.1016/0364-5916(92)90005-i
X.-J. Li, S.-H. Liu, Thermodynamic description of the Mg-O and Al-O systems, J min metall B Metall 59, 395-405 (2023). doi:10.2298/jmmb230621034l

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-Diagrams: calculated binary phase diagrams (version 2026.10), Zenodo (2026). doi:10.5281/zenodo.23735859
R. Arróyave, J. Saal, D. Shin, ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD) (version 2026.10), Zenodo (2026). doi:10.5281/zenodo.23735891
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); 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; 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). 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_phase_diagrams_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Diagrams: calculated binary phase diagrams}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735859},
  url       = {https://doi.org/10.5281/zenodo.23735859}
}

@misc{orchid_hulls_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD)}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735891},
  url       = {https://doi.org/10.5281/zenodo.23735891}
}

@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}
}