Al system

45 accepted literature values from 18 paper(s) (experimental 13, model 9, DFT 9, unspecified 14); 0 calculated phase diagram(s). 9 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

Data: JSON · CSV · interactive explorer · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	13
model	9
DFT	9
unspecified	14

Accepted values by property group
Property group	Values
phase transition	2
formation	3
mixing / partial	2
heat capacity / entropy / enthalpy	14
activity / EMF / Gibbs energy	2
crystal structure	22

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 system (3)
Phase	Value	Class	Source	Location
A2-Al	60.2 kJ/mol-atom	model	[1] Abe 2008	Table 2, p. 3, row 23 report
Al	0 kJ/mol-atom	DFT	[2] Zhou 2006	Table 3, p. 6, row 27 report
fcc-Al	0 kJ/mol-atom	DFT	[3] Zhong 2005	Table 3, p. 4, row 1 report

Other properties

Phase transition (2)

Phase transition, Al system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	933.15 K	933.15	α-Al	model	[4] Perron 2016 cites Dinsdale 1991 doi	Table 1, p. 3, row 1 report
Phase transition	933.47 K	933.47	Al(l) = Al(fcc) Al(l):	unspecified	[5] Taylor 1992	Table 2, p. 7, row 3 report

Mixing / partial (2)

Mixing / partial, Al system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Enthalpy of mixing printed: ΔH	0 kJ/mol (basis unstated)	1257	liquid alloy: Al 1	experimental	[6] Witusiewicz 2004	Table 2, p. 4, row 32 report
Enthalpy of mixing printed: ΔH	0 kJ/mol (basis unstated)	1373	liquid alloy: Al 1	experimental	[6] Witusiewicz 2004	Table 2, p. 4, row 12 report

Heat capacity / entropy / enthalpy (14)

Heat capacity / entropy / enthalpy, Al system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Entropy printed: S_Al^liq(Tm) − S_Al^FCC(Tm)	11.334 J/mol (basis unstated)/K		liquid	unspecified	[7] He 2021	Table 1, p. 3, row 10 report
Entropy printed: S_Al^liq(Tm) − S_Al^FCC(Tm)	11.332 J/mol (basis unstated)/K		liquid	experimental	[7] He 2021 cites Desai 1987 doi	Table 1, p. 3, row 9 report
Entropy printed: S_Al^liq(T_m) - S_Al^FCC(T_m)	11.334 J/mol (basis unstated)/K		liquid + FCC	unspecified	[7] He 2021	Table 1, p. 3, row 10 report
Entropy printed: S_Al^liq(T_m) - S_Al^FCC(T_m)	11.332 J/mol (basis unstated)/K		liquid + FCC	experimental	[7] He 2021 cites Desai 1987 doi	Table 1, p. 3, row 9 report
Entropy printed: S_Al^FCC(298) − S_Al^FCC(0)	28.25 J/mol (basis unstated)/K	298.15	FCC	unspecified	[7] He 2021	Table 1, p. 3, row 4 report
Entropy printed: S_Al^FCC(298) - S_Al^FCC(0)	28.25 J/mol (basis unstated)/K	298.15	FCC	unspecified	[7] He 2021	Table 1, p. 3, row 4 report
Entropy printed: S_Al^FCC(298) − S_Al^FCC(0)	28.25 J/mol (basis unstated)/K	298.15	FCC	experimental	[7] He 2021 cites Desai 1987 doi	Table 1, p. 3, row 3 report
Entropy printed: S_Al^FCC(298) - S_Al^FCC(0)	28.25 J/mol (basis unstated)/K	298.15	FCC	experimental	[7] He 2021 cites Desai 1987 doi	Table 1, p. 3, row 3 report
Heat capacity printed: C_P^liq(Tm)	31.757 J/mol (basis unstated)/K		liquid	experimental	[7] He 2021 cites Desai 1987 doi	Table 1, p. 3, row 11 report
Heat capacity printed: C_P^liq(T_m)	31.757 J/mol (basis unstated)/K		liquid	experimental	[7] He 2021 cites Desai 1987 doi	Table 1, p. 3, row 11 report
Heat capacity printed: C_P^liq(T_m)	31.507 J/mol (basis unstated)/K		liquid	unspecified	[7] He 2021	Table 1, p. 3, row 12 report
Heat capacity printed: C_P^liq(Tm)	31.507 J/mol (basis unstated)/K		liquid	unspecified	[7] He 2021	Table 1, p. 3, row 12 report
hm lattice stability printed: H_Al^liq(T_m) - H_Al^FCC(T_m)	10.58 kJ/mol (basis unstated)		liquid + FCC	unspecified	[7] He 2021	Table 1, p. 3, row 8 report
hm lattice stability printed: H_Al^liq(T_m) - H_Al^FCC(T_m)	10.58 kJ/mol (basis unstated)	933.61	liquid + FCC	experimental	[7] He 2021 cites Desai 1987 doi	Table 1, p. 3, row 7 report

Activity / EMF / Gibbs energy (2)

Activity / EMF / Gibbs energy, Al system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Gibbs energy printed: Gm(ω)-Gm(β)	1606 J/mol	0	UNKNOWN alloy: Al 1	model	[8] Yan 2016	Table 4, p. 5, row 12 report
Gibbs energy printed: Gm(ω)-Gm(β)	1606 J/mol	0	UNKNOWN alloy: Al 1	DFT	[8] Yan 2016	Table 4, p. 5, row 11 report

Crystal structure (22)

Crystal structure, Al system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	4.049 Å	0	(Al) (Al): Al 1	DFT	[9] Benhafid 2019	Table 1, p. 2, row 2 report
Lattice a printed: a	4.041 Å		A1-Al	experimental	[1] Abe 2008 cites King 1981 doi	Table 2, p. 3, row 2 report
Lattice a printed: a	4.056 Å	0	A1-Al	model	[1] Abe 2008	Table 2, p. 3, row 1 report
Lattice a printed: a	3.242 Å	0	A2-Al	model	[1] Abe 2008	Table 2, p. 3, row 23 report
Lattice a printed: a	4.041 Å	0	fcc-Al	DFT	[3] Zhong 2005	Table 3, p. 4, row 1 report
Lattice a	4.0414 Å	298.15	(Al) (Al): Al 1	unspecified	[10] McAlister 1989	Table 3, p. 2, row 1 report
Lattice a	4.2906 Å	298.15	(Al) (Al): Al 1	experimental	[11] Murray 1987 cites ref. 1	Table 3, p. 6, row 42 report
Lattice a	4.049 Å	298.15	(Al) (Al): Al 1	experimental	[9] Benhafid 2019 cites Otte 1963 doi	Table 1, p. 2, row 1 report
Lattice a	4.0497 Å	298.15	Al	model	[12] Shao 2004 cites Villars 1991	Table 1, p. 2, row 1 report
Lattice a	4.0496 Å	298.15	Al Al: Al 1	unspecified	[13] Murray 1998	Table 3, p. 1, row 1 report
Lattice a	4.0496 Å	298.15	Al Al: Al 1	unspecified	[14] Murray 1998 cites ref. 2	Table 3, p. 5, row 1 report
Lattice a	4.0496 Å	298.15	Al Al: Al 1	unspecified	[15] Ltd. 1997	Table 5, p. 5, row 1 report
Lattice a	4.0495 Å	298.15	Al	unspecified	[16] Saccone 1998	Table 1, p. 8, row 15 report
Lattice a	4.05 Å	298.15	Al	model	[17] Hu 2018 cites Villars 1997	Table 1, p. 2, row 1 report
Lattice a	4.0496 Å	298.15	fcc(Al)	unspecified	[18] Long 2020	Table 1, p. 2, row 1 report
Lattice b	4.049 Å	0	(Al) (Al): Al 1	DFT	[9] Benhafid 2019	Table 1, p. 2, row 2 report
Lattice b printed: b	4.041 Å	0	fcc-Al	DFT	[3] Zhong 2005	Table 3, p. 4, row 1 report
Lattice b	4.049 Å	298.15	(Al) (Al): Al 1	experimental	[9] Benhafid 2019 cites Otte 1963 doi	Table 1, p. 2, row 1 report
Lattice b	4.05 Å	298.15	Al	model	[17] Hu 2018 cites Villars 1997	Table 1, p. 2, row 1 report
Lattice c printed: c	4.041 Å	0	fcc-Al	DFT	[3] Zhong 2005	Table 3, p. 4, row 1 report
Lattice c	4.05 Å	298.15	Al	model	[17] Hu 2018 cites Villars 1997	Table 1, p. 2, row 1 report
lattice unspecified axis printed: a = b = c	4.041 Å	0	fcc-Al	DFT	[3] Zhong 2005	Table 3, p. 4, row 1 report

Sources

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

T. Abe, C. Kocer, M. Ode, H. Murakami, Y. Yamabe-Mitarai, K. Hashimoto et al., Thermodynamic re-assessment of the Al–Ir system, Calphad 32, 686-692 (2008). doi:10.1016/j.calphad.2008.09.014
S.H. Zhou, R.E. Napolitano, Phase equilibria and thermodynamic limits for partitionless crystallization in the Al–La binary system, Acta Materialia 54, 831-840 (2006). doi:10.1016/j.actamat.2005.10.013
Yu Zhong, Mei Yang, Zi-Kui Liu, Contribution of first-principles energetics to Al–Mg thermodynamic modeling, Calphad 29, 303-311 (2005). doi:10.1016/j.calphad.2005.08.004
A. Perron, P.E.A. Turchi, A. Landa, B. Oudot, B. Ravat, F. Delaunay, Thermodynamic assessments and inter-relationships between systems involving Al, Am, Ga, Pu, and U, Journal of Nuclear Materials 482, 187-200 (2016). doi:10.1016/j.jnucmat.2016.09.012
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
V.T. Witusiewicz, U. Hecht, S.G. Fries, S. Rex, The Ag–Al–Cu system, Journal of Alloys and Compounds 385, 133-143 (2004). doi:10.1016/j.jallcom.2004.04.126
Zhangting He, Bartek Kaplan, Huahai Mao, Malin Selleby, The third generation Calphad description of Al–C including revisions of pure Al and C, Calphad 72, 102250 (2021). doi:10.1016/j.calphad.2021.102250
Jia-Yi Yan, G.B. Olson, Computational thermodynamics and kinetics of displacive transformations in titanium-based alloys, Journal of Alloys and Compounds 673, 441-454 (2016). doi:10.1016/j.jallcom.2016.02.251
R. Benhafid, A. Belgacem Bouzida, Y. Djaballah, A. Candan, A. İyigör, G. Uğur, Thermodynamic Modeling of the Al-Ba and Ba-Ge Systems Supported by First-Principles Calculations, J. Phase Equilib. Diffus. 40, 195-205 (2019). doi:10.1007/s11669-019-00714-2
A. J. McAlister, The Al-Tl (Aluminum-Thallium) system, Bulletin of Alloy Phase Diagrams 10, 112-114 (1989). doi:10.1007/bf02881414
J. L. Murray, H. Okamoto, T. B. Massalski, The Al−Au (Aluminum-gold) system, Bulletin of Alloy Phase Diagrams 8, 20-30 (1987). doi:10.1007/bf02868887
G. Shao, Thermodynamic assessment of the Nb–Si–Al system, Intermetallics 12, 655-664 (2004). doi:10.1016/j.intermet.2004.03.011
J. L. Murray, The Al-Sc (aluminum-scandium) system, JPE 19, 380-384 (1998). doi:10.1361/105497198770342120
J. L. Murray, The Al-Cr (aluminum-chromium) system, JPE 19, 367-375 (1998). doi:10.1007/bf02735058
Thermotech Ltd., N. Saunders, The Al-Mo system (aluminum-molybdenum), JPE 18, 370-378 (1997). doi:10.1007/s11669-997-0063-1
A. Saccone, G. Cacciamani, D. Macciò, G. Borzone, R. Ferro, Contribution to the study of the alloys and intermetallic compounds of aluminium with the rare-earth metals, Intermetallics 6, 201-215 (1998). doi:10.1016/s0966-9795(97)00066-6
J.L. Hu, H. Bo, L.B. Liu, Z.P. Jin, Thermodynamic study of the Al-Sc-Y system, Thermochimica Acta 661, 147-159 (2018). doi:10.1016/j.tca.2018.01.018
Zhaohui Long, Dongyu Cui, Hongxing Hu, Zhi Li, Fucheng Yin, Touwen Fan, Thermodynamic Modeling of the Al-Li-Zr Ternary System, J. Phase Equilib. Diffus. 41, 623-641 (2020). doi:10.1007/s11669-020-00827-z

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 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_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}
}