Al–Fe–Ti system

62 accepted literature values from 1 paper(s) (experimental 17, model 32, DFT 13); 0 calculated phase diagram(s).

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Accepted values by evidence class
Evidence class	Values
experimental	17
model	32
DFT	13

Accepted values by property group
Property group	Values
phase transition	34
formation	28

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–Fe–Ti system (28)
Phase	Value	Class	Source	Location
BCC_4SL	-47.9771 kJ/mol (basis unstated)	model	[1] Liang 2024	Table 8, p. 12, row 6 report
BCC_4SL	-45.4458 kJ/mol (basis unstated)	DFT	[1] Liang 2024 cites Kirklin 1995	Table 8, p. 12, row 5 report
BCC_4SL	-36.7619 kJ/mol (basis unstated)	DFT	[1] Liang 2024 cites Kirklin 1995	Table 8, p. 12, row 3 report
BCC_4SL	-36.7266 kJ/mol (basis unstated)	model	[1] Liang 2024	Table 8, p. 12, row 4 report
BCC_4SL	-26.1482 kJ/mol (basis unstated)	DFT	[1] Liang 2024 cites Kirklin 1995	Table 8, p. 12, row 9 report
BCC_4SL	-26.0676 kJ/mol (basis unstated)	model	[1] Liang 2024	Table 8, p. 12, row 12 report
BCC_4SL	-22.3852 kJ/mol (basis unstated)	DFT	[1] Liang 2024 cites Kirklin 1995	Table 8, p. 12, row 1 report
BCC_4SL	-22.3503 kJ/mol (basis unstated)	model	[1] Liang 2024	Table 8, p. 12, row 2 report
BCC_4SL	-19.587 kJ/mol (basis unstated)	DFT	[1] Liang 2024 cites Kirklin 1995	Table 8, p. 12, row 7 report
BCC_4SL	-19.533 kJ/mol (basis unstated)	model	[1] Liang 2024	Table 8, p. 12, row 8 report
Laves C14	-39.6565 kJ/mol (basis unstated)	model	[1] Liang 2024	Table 8, p. 12, row 24 report
Laves C14	-39.6565 kJ/mol (basis unstated)	DFT	[1] Liang 2024	Table 8, p. 12, row 23 report
Laves C14	-36.5689 kJ/mol (basis unstated)	DFT	[1] Liang 2024	Table 8, p. 12, row 21 report
Laves C14	-36.5689 kJ/mol (basis unstated)	model	[1] Liang 2024	Table 8, p. 12, row 22 report
Laves C14	-22.5666 kJ/mol (basis unstated)	DFT	[1] Liang 2024	Table 8, p. 12, row 13 report
Laves C14	-22.5666 kJ/mol (basis unstated)	model	[1] Liang 2024	Table 8, p. 12, row 14 report
Laves C14	-9.93825 kJ/mol (basis unstated)	DFT	[1] Liang 2024	Table 8, p. 12, row 15 report
Laves C14	-9.93825 kJ/mol (basis unstated)	model	[1] Liang 2024	Table 8, p. 12, row 16 report
Laves C14	18.8576 kJ/mol (basis unstated)	model	[1] Liang 2024	Table 8, p. 12, row 18 report
Laves C14	18.8576 kJ/mol (basis unstated)	DFT	[1] Liang 2024	Table 8, p. 12, row 17 report
Laves C14	33.4823 kJ/mol (basis unstated)	model	[1] Liang 2024	Table 8, p. 12, row 20 report
Laves C14	33.4823 kJ/mol (basis unstated)	DFT	[1] Liang 2024	Table 8, p. 12, row 19 report
τ2	-50.7 kJ/mol (basis unstated)	model	[1] Liang 2024	Table 8, p. 12, row 26 report
τ2	-42.9292 kJ/mol (basis unstated)	DFT	[1] Liang 2024	Table 8, p. 12, row 25 report
τ2	-19.3143 kJ/mol (basis unstated)	model	[1] Liang 2024	Table 8, p. 12, row 28 report
τ2	-19.3143 kJ/mol (basis unstated)	DFT	[1] Liang 2024	Table 8, p. 12, row 27 report
τ3	-45.6427 kJ/mol (basis unstated)	model	[1] Liang 2024	Table 8, p. 12, row 30 report
τ3	5 kJ/mol (basis unstated)	model	[1] Liang 2024	Table 8, p. 12, row 29 report

Other properties

Phase transition (34)

Phase transition, Al–Fe–Ti system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Phase transition	1495.15 K	1495.15	other: ssm99 alloy: Al 0.475, Fe 0.35, Ti 0.175	experimental	[1] Liang 2024 cites Kumar 1994 doi	Table 7, p. 12, row 9 report
Phase transition	1512.49 K	1512.49	other: lsm1274 alloy: Al 0.491, Fe 0.245, Ti 0.264	model	[1] Liang 2024	Table 7, p. 12, row 28 report
Phase transition	1521.15 K	1521.15	other: ssm72 alloy: Al 0.553, Fe 0.423, Ti 0.024	experimental	[1] Liang 2024 cites Kumar 1994 doi	Table 7, p. 12, row 7 report
Phase transition	1554.51 K	1554.51	other: ssm192 alloy: Al 0.425, Fe 0.25, Ti 0.325	model	[1] Liang 2024	Table 7, p. 12, row 12 report
Phase transition	1555.25 K	1555.25	other: ssm347 alloy: Al 0.412, Fe 0.237, Ti 0.351	model	[1] Liang 2024	Table 7, p. 12, row 22 report
Phase transition	1559.15 K	1559.15	other: ssm349 alloy: Al 0.51, Fe 0.125, Ti 0.365	experimental	[1] Liang 2024 cites Kumar 1994 doi	Table 7, p. 12, row 25 report
Phase transition	1560.15 K	1560.15	other: lsm1274 alloy: Al 0.491, Fe 0.245, Ti 0.264	experimental	[1] Liang 2024 cites Kumar 1994 doi	Table 7, p. 12, row 27 report
Phase transition	1563.56 K	1563.56	other: ssm193 alloy: Al 0.375, Fe 0.25, Ti 0.375	model	[1] Liang 2024	Table 7, p. 12, row 14 report
Phase transition	1569.31 K	1569.31	other: ssm348 alloy: Al 0.44, Fe 0.125, Ti 0.435	model	[1] Liang 2024	Table 7, p. 12, row 24 report
Phase transition	1569.75 K	1569.75	other: ssm64 alloy: Al 0.403, Fe 0.354, Ti 0.243	model	[1] Liang 2024	Table 7, p. 12, row 6 report
Phase transition	1573.15 K	1573.15	other: ssm348 alloy: Al 0.44, Fe 0.125, Ti 0.435	experimental	[1] Liang 2024 cites Kumar 1994 doi	Table 7, p. 12, row 23 report
Phase transition	1574.15 K	1574.15	other: ssm64 alloy: Al 0.403, Fe 0.354, Ti 0.243	experimental	[1] Liang 2024 cites Kumar 1994 doi	Table 7, p. 12, row 5 report
Phase transition	1576.15 K	1576.15	other: ssm198 alloy: Al 0.275, Fe 0.525, Ti 0.2	experimental	[1] Liang 2024 cites Kumar 1994 doi	Table 7, p. 12, row 15 report
Phase transition	1576.83 K	1576.83	other: ssm99 alloy: Al 0.475, Fe 0.35, Ti 0.175	model	[1] Liang 2024	Table 7, p. 12, row 10 report
Phase transition	1586.35 K	1586.35	other: ssm72 alloy: Al 0.553, Fe 0.423, Ti 0.024	model	[1] Liang 2024	Table 7, p. 12, row 8 report
Phase transition	1596.15 K	1596.15	other: ssm347 alloy: Al 0.412, Fe 0.237, Ti 0.351	experimental	[1] Liang 2024 cites Kumar 1994 doi	Table 7, p. 12, row 21 report
Phase transition	1597.06 K	1597.06	other: sm3847 alloy: Al 0.3, Fe 0.375, Ti 0.325	model	[1] Liang 2024	Table 7, p. 12, row 34 report
Phase transition	1598.15 K	1598.15	other: ssm60 alloy: Al 0.201, Fe 0.603, Ti 0.196	experimental	[1] Liang 2024 cites Kumar 1994 doi	Table 7, p. 12, row 3 report
Phase transition	1598.82 K	1598.82	other: ssm349 alloy: Al 0.51, Fe 0.125, Ti 0.365	model	[1] Liang 2024	Table 7, p. 12, row 26 report
Phase transition	1599.15 K	1599.15	other: ssm193 alloy: Al 0.375, Fe 0.25, Ti 0.375	experimental	[1] Liang 2024 cites Kumar 1994 doi	Table 7, p. 12, row 13 report
Phase transition	1604.15 K	1604.15	other: ssm192 alloy: Al 0.425, Fe 0.25, Ti 0.325	experimental	[1] Liang 2024 cites Kumar 1994 doi	Table 7, p. 12, row 11 report
Phase transition	1611.15 K	1611.15	other: ssm58 alloy: Al 0.101, Fe 0.704, Ti 0.195	experimental	[1] Liang 2024 cites Kumar 1994 doi	Table 7, p. 12, row 1 report
Phase transition	1624.32 K	1624.32	other: ssm58 alloy: Al 0.101, Fe 0.704, Ti 0.195	model	[1] Liang 2024	Table 7, p. 12, row 2 report
Phase transition	1629.15 K	1629.15	other: sm3847 alloy: Al 0.3, Fe 0.375, Ti 0.325	experimental	[1] Liang 2024 cites Kumar 1994 doi	Table 7, p. 12, row 33 report
Phase transition	1638.19 K	1638.19	other: ssm60 alloy: Al 0.201, Fe 0.603, Ti 0.196	model	[1] Liang 2024	Table 7, p. 12, row 4 report
Phase transition	1644.15 K	1644.15	other: lsm1275 alloy: Al 0.3, Fe 0.6, Ti 0.1	experimental	[1] Liang 2024 cites Kumar 1994 doi	Table 7, p. 12, row 29 report
Phase transition	1649.74 K	1649.74	other: lsm1275 alloy: Al 0.3, Fe 0.6, Ti 0.1	model	[1] Liang 2024	Table 7, p. 12, row 30 report
Phase transition	1658.35 K	1658.35	other: ssm278 alloy: Al 0.2, Fe 0.7, Ti 0.1	model	[1] Liang 2024	Table 7, p. 12, row 20 report
Phase transition	1670.15 K	1670.15	other: ssm278 alloy: Al 0.2, Fe 0.7, Ti 0.1	experimental	[1] Liang 2024 cites Kumar 1994 doi	Table 7, p. 12, row 19 report
Phase transition	1674.73 K	1674.73	other: ssm198 alloy: Al 0.275, Fe 0.525, Ti 0.2	model	[1] Liang 2024	Table 7, p. 12, row 16 report
Phase transition	1674.76 K	1674.76	other: sm3845 alloy: Al 0.1, Fe 0.575, Ti 0.325	model	[1] Liang 2024	Table 7, p. 12, row 32 report
Phase transition	1681.15 K	1681.15	other: sm3845 alloy: Al 0.1, Fe 0.575, Ti 0.325	experimental	[1] Liang 2024 cites Kumar 1994 doi	Table 7, p. 12, row 31 report
Phase transition	1710.63 K	1710.63	other: ssm276 alloy: Al 0.25, Fe 0.7, Ti 0.05	model	[1] Liang 2024	Table 7, p. 12, row 18 report
Phase transition	1720.15 K	1720.15	other: ssm276 alloy: Al 0.25, Fe 0.7, Ti 0.05	experimental	[1] Liang 2024 cites Kumar 1994 doi	Table 7, p. 12, row 17 report

Sources

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

Zhi Liang, Ursula Kattner, Kamal Choudharry, Francesca Tavazza, Carelyn Campbell, Thermodynamic Assessments of Ti-Al, Ti-Fe, and Ti-Al-Fe Systems with Four-Sublattice Description of Ordered Body-Centered Cubic Phase and Density Functional Theory Data, J. Phase Equilib. Diffus. 45, 732-756 (2024). doi:10.1007/s11669-024-01124-9

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}
}