Al–S system

31 accepted literature values from 1 paper(s) (experimental 14, model 13, DFT 4); 1 calculated phase diagram(s). 6 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
experimental	14
model	13
DFT	4

Accepted values by property group
Property group	Values
invariant reaction	18
formation	9
crystal structure	4

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
AlS-19Shi.tdb	C. Shi, B. Yang, B. Hu, Y. Du, S. Yao, J. Phase Equilib. Diffus., 40, 392-402(2019). doi:10.1007/s11669-019-00733-z	`4298f9d489e1f95258be1b32f49444f20c1ac8824440f5a599d09bee974ed235`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
AlS-19Shi.tdb	1332.74	LIQUID#2 (x(S) 0.04005) + ALS (x(S) 0.5) + LIQUID (x(S) 0.54848)
AlS-19Shi.tdb	1314.78	ALS (x(S) 0.5) + LIQUID (x(S) 0.5571) + AL2S3_D51 (x(S) 0.6)
AlS-19Shi.tdb	1284.46	LIQUID (x(S) 0.02545) + ALS (x(S) 0.5) + AL2S3_D51 (x(S) 0.6)
AlS-19Shi.tdb	1273.69	LIQUID (x(S) 0.0215) + AL2S3_ALPHA (x(S) 0.6) + AL2S3_D51 (x(S) 0.6)
AlS-19Shi.tdb	1273.69	AL2S3_ALPHA (x(S) 0.6) + AL2S3_D51 (x(S) 0.6) + LIQUID (x(S) 0.62271)
AlS-19Shi.tdb	1243.51	AL2S3_ALPHA (x(S) 0.6) + LIQUID (x(S) 0.63622) + LIQUID#2 (x(S) 0.99945)
AlS-19Shi.tdb	933.47	FCC_A1 (x(S) 0) + LIQUID (x(S) 0) + AL2S3_ALPHA (x(S) 0.6)
AlS-19Shi.tdb	384.34	AL2S3_ALPHA (x(S) 0.6) + ORTHORHOMBIC_A16 (x(S) 1) + LIQUID (x(S) 1)

Convex hulls: Materials Project DFT hull · OQMD DFT hull

Invariant reactions (literature)

Invariant reactions reported in the literature for the Al–S system (18)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
1333.15	syntectic: L1 + L2 -> AlS	L2: S 0.51; AlS: S 0.5	experimental	[1] Shi 2019 cites Sharma 1987 doi	Table 5, p. 8, row 4 report
1333.05	syntectic: L1 + L2 -> AlS	L1: S 0.041; L2: S 0.548; AlS: S 0.5	model	[1] Shi 2019	Table 5, p. 8, row 6 report
1331.45	syntectic: L1 + L2 -> AlS	L1: S 0; L2: S 0.543; AlS: S 0.5	model	[1] Shi 2019	Table 5, p. 8, row 5 report
1325.75	eutectic: L1 -> AlS + γAl2S3	L1: S 0.557; AlS: S 0.5; γAl2S3: S 0.6	model	[1] Shi 2019	Table 5, p. 8, row 9 report
1325.75	eutectic: L1 -> AlS + γAl2S3	L1: S 0.553; AlS: S 0.5; γAl2S3: S 0.6	model	[1] Shi 2019	Table 5, p. 8, row 8 report
1313.15	eutectic: L1 -> AlS + γAl2S3	L1: S 0.56; AlS: S 0.5; γAl2S3: S 0.59	experimental	[1] Shi 2019 cites Sharma 1987 doi	Table 5, p. 8, row 7 report
1284.75	metatectic/catatectic: AlS -> L1 + γAl2S3	AlS: S 0.5; L1: S 0; γAl2S3: S 0.6	model	[1] Shi 2019	Table 5, p. 8, row 11 report
1284.65	metatectic/catatectic: AlS -> L1 + γAl2S3	AlS: S 0.5; L1: S 0.026; γAl2S3: S 0.6	model	[1] Shi 2019	Table 5, p. 8, row 12 report
1283.15	metatectic/catatectic: AlS -> L1 + γAl2S3	AlS: S 0.5	experimental	[1] Shi 2019 cites Sharma 1987 doi	Table 5, p. 8, row 10 report
1263.45	monotectic: L2 -> γAl2S3 + L3	L2: S 0.707; γAl2S3: S 0.6; L3: S 1	model	[1] Shi 2019	Table 5, p. 8, row 14 report
1246.15	monotectic: L2 -> γAl2S3 + L3	γAl2S3: Al 0.4, S 0.6	experimental	[1] Shi 2019 cites Flahaut 1951	Table 5, p. 8, row 13 report
1243.75	monotectic: L2 -> γAl2S3 + L3	L2: S 0.636; γAl2S3: S 0.6; L3: S 1	model	[1] Shi 2019	Table 5, p. 8, row 15 report
933.65	eutectic: L1 -> (Al) + αAl2S3	L1: S 0; (Al): S 0; αAl2S3: S 0.6	model	[1] Shi 2019	Table 5, p. 8, row 2 report
933.15	eutectic: L1 -> (Al) + αAl2S3	(Al): S 0; αAl2S3: S 0.6	experimental	[1] Shi 2019 cites Sharma 1987 doi	Table 5, p. 8, row 1 report
388.35	eutectic: L3 -> αAl2S3 + (βS)	L3: S 1; αAl2S3: S 0.6; (βS): S 1	model	[1] Shi 2019	Table 5, p. 8, row 18 report
388.15	eutectic: L3 -> αAl2S3 + (βS)	L3: S 1; αAl2S3: S 0.6; (βS): S 1	experimental	[1] Shi 2019 cites Flahaut 1951	Table 5, p. 8, row 16 report
368.65	eutectoid: (βS) -> αAl2S3 + (αS)	(βS): S 1; αAl2S3: S 0.6; (αS): S 1	experimental	[1] Shi 2019 cites Flahaut 1951	Table 5, p. 8, row 19 report
368.45	eutectoid: (βS) -> αAl2S3 + (αS)	(βS): S 1; αAl2S3: S 0.6; (αS): S 1	model	[1] Shi 2019	Table 5, p. 8, row 20 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–S system (9)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
AlS	AlS	-132.5 kJ/mol-atom ± 20	298.15	experimental		-98.741 (oqmd-1971261)	[1] Shi 2019 cites Mills 1974	Table 3, p. 3, row 1 report
αAl2S3	Al2S3	-144.6 kJ/mol-atom	298.15	experimental	-131.06 (mp-aaaaadyc)	-118.658 (oqmd-27954)	[1] Shi 2019 cites Mills 1974	Table 3, p. 3, row 5 report
αAl2S3		-140.7 kJ/mol-atom	0	DFT			[1] Shi 2019 cites The 2019	Table 3, p. 3, row 4 report
αAl2S3	Al2S3	-130.2 kJ/mol-atom	298.15	experimental	-131.06 (mp-aaaaadyc)	-118.658 (oqmd-27954)	[1] Shi 2019 cites Ferrante 1981	Table 3, p. 3, row 2 report
αAl2S3	Al2S3	-130.2 kJ/mol-atom	298.15	model	-131.06 (mp-aaaaadyc)	-118.658 (oqmd-27954)	[1] Shi 2019	Table 3, p. 3, row 6 report
αAl2S3		-118.9 kJ/mol-atom	0	DFT			[1] Shi 2019 cites The 2019	Table 3, p. 3, row 3 report
γAl2S3		-136.8 kJ/mol-atom	0	DFT			[1] Shi 2019 cites The 2019	Table 3, p. 3, row 8 report
γAl2S3		-115.2 kJ/mol-atom	0	DFT			[1] Shi 2019 cites The 2019	Table 3, p. 3, row 7 report
γAl2S3	Al2S3	-107.9 kJ/mol-atom	298.15	model	-131.06 (mp-aaaaadyc)	-118.658 (oqmd-27954)	[1] Shi 2019	Table 3, p. 3, row 9 report

Other properties

Crystal structure (4)

Crystal structure, Al–S system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	0.6423 Å	298.15	αAl2S3 alloy: S 0.6	experimental	[1] Shi 2019 cites Flahaut 1952	Table 2, p. 3, row 4 report
Lattice a	0.647 Å	298.15	γAl2S3 alloy: S 0.6	experimental	[1] Shi 2019 cites Flahaut 1952	Table 2, p. 3, row 5 report
Lattice c	1.783 Å	298.15	αAl2S3 alloy: S 0.6	experimental	[1] Shi 2019 cites Flahaut 1952	Table 2, p. 3, row 4 report
Lattice c	1.727 Å	298.15	γAl2S3 alloy: S 0.6	experimental	[1] Shi 2019 cites Flahaut 1952	Table 2, p. 3, row 5 report

Sources

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

Chenying Shi, Biaobiao Yang, Biao Hu, Yong Du, Sheng Yao, Thermodynamic Description of the Al–X (X = S, Se, Te) Systems, J. Phase Equilib. Diffus. 40, 392-402 (2019). doi:10.1007/s11669-019-00733-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-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}
}