# Al–Fe–Ti system

> Al–Fe–Ti system: 62 accepted literature values (phase transition 34, formation 28) and 0 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

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

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Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| experimental | 17 |
| model | 32 |
| DFT | 13 |

Table: 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](https://data.orchid-project.org/literature/dft_parity.json).

Table: Enthalpies of formation, Al–Fe–Ti system (28)

| Phase | Compound | Value | T (K) | Class | MP DFT (kJ/mol-atom) | OQMD DFT (kJ/mol-atom) | Source | Location | Quote |
|---|---|---:|---:|---|---:|---:|---|---|---|
| BCC_4SL |  | -47.9771 kJ/mol (basis unstated) |  | model |  |  | [1] Liang 2024 | Table 8, p. 12, row 6; `ORC-3HOGUCJATR` |  |
| BCC_4SL |  | -45.4458 kJ/mol (basis unstated) |  | DFT |  |  | [1] Liang 2024; _cites Kirklin 1995_ | Table 8, p. 12, row 5; `ORC-TUO4KAOCYS` |  |
| BCC_4SL |  | -36.7619 kJ/mol (basis unstated) |  | DFT |  |  | [1] Liang 2024; _cites Kirklin 1995_ | Table 8, p. 12, row 3; `ORC-5SDEO3VM5Q` |  |
| BCC_4SL |  | -36.7266 kJ/mol (basis unstated) |  | model |  |  | [1] Liang 2024 | Table 8, p. 12, row 4; `ORC-YTMX76S2V7` |  |
| BCC_4SL |  | -26.1482 kJ/mol (basis unstated) |  | DFT |  |  | [1] Liang 2024; _cites Kirklin 1995_ | Table 8, p. 12, row 9; `ORC-JT2TM3CGRT` |  |
| BCC_4SL |  | -26.0676 kJ/mol (basis unstated) |  | model |  |  | [1] Liang 2024 | Table 8, p. 12, row 12; `ORC-WAA44ISBTJ` |  |
| BCC_4SL |  | -22.3852 kJ/mol (basis unstated) |  | DFT |  |  | [1] Liang 2024; _cites Kirklin 1995_ | Table 8, p. 12, row 1; `ORC-7TZD7LKTFM` |  |
| BCC_4SL |  | -22.3503 kJ/mol (basis unstated) |  | model |  |  | [1] Liang 2024 | Table 8, p. 12, row 2; `ORC-AVEOM5EPWU` |  |
| BCC_4SL |  | -19.587 kJ/mol (basis unstated) |  | DFT |  |  | [1] Liang 2024; _cites Kirklin 1995_ | Table 8, p. 12, row 7; `ORC-JDJGMYIXNH` |  |
| BCC_4SL |  | -19.533 kJ/mol (basis unstated) |  | model |  |  | [1] Liang 2024 | Table 8, p. 12, row 8; `ORC-ZSN2XCRDJH` |  |
| Laves C14 |  | -39.6565 kJ/mol (basis unstated) |  | model |  |  | [1] Liang 2024 | Table 8, p. 12, row 24; `ORC-GJGHEPS2H7` |  |
| Laves C14 |  | -39.6565 kJ/mol (basis unstated) |  | DFT |  |  | [1] Liang 2024 | Table 8, p. 12, row 23; `ORC-XQI52UJGWD` |  |
| Laves C14 |  | -36.5689 kJ/mol (basis unstated) |  | DFT |  |  | [1] Liang 2024 | Table 8, p. 12, row 21; `ORC-7BBA57PZKG` |  |
| Laves C14 |  | -36.5689 kJ/mol (basis unstated) |  | model |  |  | [1] Liang 2024 | Table 8, p. 12, row 22; `ORC-VFF7NSNY2H` |  |
| Laves C14 |  | -22.5666 kJ/mol (basis unstated) |  | DFT |  |  | [1] Liang 2024 | Table 8, p. 12, row 13; `ORC-2P3GIUFSVK` |  |
| Laves C14 |  | -22.5666 kJ/mol (basis unstated) |  | model |  |  | [1] Liang 2024 | Table 8, p. 12, row 14; `ORC-Y4TDJAXBOP` |  |
| Laves C14 |  | -9.93825 kJ/mol (basis unstated) |  | DFT |  |  | [1] Liang 2024 | Table 8, p. 12, row 15; `ORC-QHGGCDASZM` |  |
| Laves C14 |  | -9.93825 kJ/mol (basis unstated) |  | model |  |  | [1] Liang 2024 | Table 8, p. 12, row 16; `ORC-RMBLIUW7VN` |  |
| Laves C14 |  | 18.8576 kJ/mol (basis unstated) |  | model |  |  | [1] Liang 2024 | Table 8, p. 12, row 18; `ORC-2BPM7WCXV2` |  |
| Laves C14 |  | 18.8576 kJ/mol (basis unstated) |  | DFT |  |  | [1] Liang 2024 | Table 8, p. 12, row 17; `ORC-SCQHR22ARE` |  |
| Laves C14 |  | 33.4823 kJ/mol (basis unstated) |  | model |  |  | [1] Liang 2024 | Table 8, p. 12, row 20; `ORC-4MIUGGSILV` |  |
| Laves C14 |  | 33.4823 kJ/mol (basis unstated) |  | DFT |  |  | [1] Liang 2024 | Table 8, p. 12, row 19; `ORC-MMYVRLU74K` |  |
| τ2 |  | -50.7 kJ/mol (basis unstated) |  | model |  |  | [1] Liang 2024 | Table 8, p. 12, row 26; `ORC-5SSQD2ATZ4` |  |
| τ2 |  | -42.9292 kJ/mol (basis unstated) |  | DFT |  |  | [1] Liang 2024 | Table 8, p. 12, row 25; `ORC-23BGDQX4H4` |  |
| τ2 |  | -19.3143 kJ/mol (basis unstated) |  | model |  |  | [1] Liang 2024 | Table 8, p. 12, row 28; `ORC-2LODD4MSZI` |  |
| τ2 |  | -19.3143 kJ/mol (basis unstated) |  | DFT |  |  | [1] Liang 2024 | Table 8, p. 12, row 27; `ORC-ZODMYVZFSB` |  |
| τ3 |  | -45.6427 kJ/mol (basis unstated) |  | model |  |  | [1] Liang 2024 | Table 8, p. 12, row 30; `ORC-EC7VIKJPN2` |  |
| τ3 |  | 5 kJ/mol (basis unstated) |  | model |  |  | [1] Liang 2024 | Table 8, p. 12, row 29; `ORC-PPKM6I4VOD` |  |

## Other properties

### Phase transition (34)

Table: Phase transition, Al–Fe–Ti system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| 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](https://doi.org/10.1016/0364-5916%2894%2990028-0) | Table 7, p. 12, row 9; `ORC-NP7YZCPOFT` |  |
| 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; `ORC-BTEPN3TEGA` |  |
| 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](https://doi.org/10.1016/0364-5916%2894%2990028-0) | Table 7, p. 12, row 7; `ORC-FPTD4PKQLB` |  |
| 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; `ORC-DBU45XR7WP` |  |
| 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; `ORC-WAXOWEJDCV` |  |
| 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](https://doi.org/10.1016/0364-5916%2894%2990028-0) | Table 7, p. 12, row 25; `ORC-UTEATHDDZM` |  |
| 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](https://doi.org/10.1016/0364-5916%2894%2990028-0) | Table 7, p. 12, row 27; `ORC-JQOWRG4QHN` |  |
| 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; `ORC-X42ANFUSME` |  |
| 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; `ORC-ZPM37IWZ3I` |  |
| 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; `ORC-5YMIICVCI7` |  |
| 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](https://doi.org/10.1016/0364-5916%2894%2990028-0) | Table 7, p. 12, row 23; `ORC-HFQ62HD7GP` |  |
| 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](https://doi.org/10.1016/0364-5916%2894%2990028-0) | Table 7, p. 12, row 5; `ORC-SL5V3SZ7A4` |  |
| 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](https://doi.org/10.1016/0364-5916%2894%2990028-0) | Table 7, p. 12, row 15; `ORC-A3BRU2YYVL` |  |
| 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; `ORC-SUGHRA4KXS` |  |
| 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; `ORC-Z2S43TKMMQ` |  |
| 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](https://doi.org/10.1016/0364-5916%2894%2990028-0) | Table 7, p. 12, row 21; `ORC-URPEUN3SWO` |  |
| 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; `ORC-UZWSW5CHDZ` |  |
| 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](https://doi.org/10.1016/0364-5916%2894%2990028-0) | Table 7, p. 12, row 3; `ORC-ZQXTRVW6SC` |  |
| 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; `ORC-5KZ6SPWKLL` |  |
| 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](https://doi.org/10.1016/0364-5916%2894%2990028-0) | Table 7, p. 12, row 13; `ORC-WLKO5PV7GT` |  |
| 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](https://doi.org/10.1016/0364-5916%2894%2990028-0) | Table 7, p. 12, row 11; `ORC-XD3EF4J23R` |  |
| 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](https://doi.org/10.1016/0364-5916%2894%2990028-0) | Table 7, p. 12, row 1; `ORC-Y6N64PR7S4` |  |
| 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; `ORC-BUBU5WVKIX` |  |
| 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](https://doi.org/10.1016/0364-5916%2894%2990028-0) | Table 7, p. 12, row 33; `ORC-YNDWGYQIJX` |  |
| 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; `ORC-3SKIO6UFVM` |  |
| 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](https://doi.org/10.1016/0364-5916%2894%2990028-0) | Table 7, p. 12, row 29; `ORC-6PNA46XZ77` |  |
| 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; `ORC-TIP3HO5KPK` |  |
| 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; `ORC-VVTH25A25T` |  |
| 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](https://doi.org/10.1016/0364-5916%2894%2990028-0) | Table 7, p. 12, row 19; `ORC-7B4F5P3ZQE` |  |
| 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; `ORC-5YE466CKKN` |  |
| 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; `ORC-5NRSYWKAZR` |  |
| 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](https://doi.org/10.1016/0364-5916%2894%2990028-0) | Table 7, p. 12, row 31; `ORC-QULUNKONNK` |  |
| 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; `ORC-MXJT7USWEL` |  |
| 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](https://doi.org/10.1016/0364-5916%2894%2990028-0) | Table 7, p. 12, row 17; `ORC-PWXLB6DASP` |  |

## Sources

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

1. 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](https://doi.org/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). https://doi.org/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). https://doi.org/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.

```bibtex
@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}
}
```

---

Derived data CC BY 4.0 ([licence](https://creativecommons.org/licenses/by/4.0/)): cite ORCHID ([CITATION.cff](https://data.orchid-project.org/CITATION.cff)) and the original sources. Quotes are short excerpts kept so that each value can be checked; they remain under the publishers' copyright and are not relicensed. Source papers, page images and full text are not redistributed. Field reference: [SCHEMA.md](https://data.orchid-project.org/literature/SCHEMA.md). Machine-readable guide: [llms.txt](https://data.orchid-project.org/llms.txt). Found an error? The report link of a value (Markdown: its id, ORC-..., in the Location column) opens a pre-filled GitHub issue, https://github.com/orchid-calphad/orchid-data/issues/new?template=report-value-error.yml&record_id=\<id>, carrying only the record id, source and value; [how to contribute](https://orchid-project.org/contribute/).