Al–Co–Fe system

47 accepted literature values from 2 paper(s) (experimental 30, model 6, DFT 11); 0 calculated phase diagram(s). 1 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

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Accepted values by evidence class
Evidence class	Values
experimental	30
model	6
DFT	11

Accepted values by property group
Property group	Values
phase equilibrium	30
formation	17

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–Co–Fe system (17)
Phase	Value	Class	Source	Location
B2	-48.26 kJ/mol (basis unstated)	model	[1] Ostrowska 2019 cites NIST	Table 5, p. 5, row 3 report
B2	-46.43 kJ/mol (basis unstated)	model	[1] Ostrowska 2019 cites OQMD	Table 5, p. 5, row 2 report
B2	-45.27 kJ/mol (basis unstated)	model	[1] Ostrowska 2019 cites materialsproject	Table 5, p. 5, row 1 report
B2	-36.39 kJ/mol (basis unstated)	DFT	[1] Ostrowska 2019 cites Breuer 2001 doi	Table 3, p. 3, row 12 report
B2	-35.42 kJ/mol (basis unstated)	model	[1] Ostrowska 2019 cites OQMD	Table 5, p. 5, row 5 report
B2	-34.94 kJ/mol (basis unstated)	DFT	[1] Ostrowska 2019 cites NIST	Table 3, p. 3, row 10 report
B2	-34.26 kJ/mol (basis unstated)	model	[1] Ostrowska 2019 cites materialsproject	Table 5, p. 5, row 4 report
B2	-33.3 kJ/mol (basis unstated)	model	[1] Ostrowska 2019 cites NIST	Table 5, p. 5, row 6 report
B2	-32.04 kJ/mol (basis unstated)	DFT	[1] Ostrowska 2019 cites OQMD	Table 3, p. 3, row 9 report
B2	-31.85 kJ/mol (basis unstated)	DFT	[1] Ostrowska 2019 cites AFLOW	Table 3, p. 3, row 11 report
B2	-31.85 kJ/mol (basis unstated)	DFT	[1] Ostrowska 2019 cites materialsproject	Table 3, p. 3, row 8 report
B2	-6.27 kJ/mol (basis unstated)	DFT	[1] Ostrowska 2019 cites OQMD	Table 4, p. 4, row 2 report
B2	-5.79 kJ/mol (basis unstated)	DFT	[1] Ostrowska 2019 cites materialsproject	Table 4, p. 4, row 1 report
B2	-5.79 kJ/mol (basis unstated)	DFT	[1] Ostrowska 2019 cites AFLOW	Table 4, p. 4, row 4 report
B2	-2.61 kJ/mol (basis unstated)	DFT	[1] Ostrowska 2019 cites NIST	Table 4, p. 4, row 3 report
m-(Co,Fe)4Al13	-16.22 kJ/mol (basis unstated)	DFT	[1] Ostrowska 2019 cites NIST	Table 3, p. 3, row 2 report
m-(Co,Fe)4Al13	-14.77 kJ/mol (basis unstated)	DFT	[1] Ostrowska 2019 cites materialsproject	Table 3, p. 3, row 1 report

Other properties

Phase equilibrium (30)

Phase equilibrium, Al–Co–Fe system
Property	T (K)	Phases / composition	Class	Source	Location
Phase composition	1073	Phase 1 Phase 1: Al 0.0333, Co 0.6645, Fe 0.3022	experimental	[2] Wang 2022	Table 4, p. 8, row 6 report
Phase composition	1073	Phase 1 Phase 1: Al 0.3491, Co 0.5212, Fe 0.1298	experimental	[2] Wang 2022	Table 4, p. 8, row 14 report
Phase composition	1073	Phase 1 Phase 1: Al 0.1921, Co 0.5071, Fe 0.3009	experimental	[2] Wang 2022	Table 4, p. 8, row 7 report
Phase composition	1073	Phase 1 Phase 1: Al 0.0528, Co 0.5489, Fe 0.3983	experimental	[2] Wang 2022	Table 4, p. 8, row 18 report
Phase composition	1073	Phase 1 Phase 1: Al 0.0517, Co 0.6455, Fe 0.3028	experimental	[2] Wang 2022	Table 4, p. 8, row 10 report
Phase composition	1073	Phase 1 Phase 1: Al 0.1884, Co 0.463, Fe 0.3486	experimental	[2] Wang 2022	Table 4, p. 8, row 12 report
Phase composition	1073	Phase 1 Phase 1: Al 0.1222, Co 0.1728, Fe 0.705	experimental	[2] Wang 2022	Table 4, p. 8, row 17 report
Phase composition	1073	Phase 1 Phase 1: Al 0.1494, Co 0.053, Fe 0.7976	experimental	[2] Wang 2022	Table 4, p. 8, row 15 report
Phase composition	1073	Phase 1 Phase 1: Al 0.0491, Co 0.5058, Fe 0.4451	experimental	[2] Wang 2022	Table 4, p. 8, row 13 report
Phase composition	1073	Phase 1 Phase 1: Al 0.2516, Co 0.5243, Fe 0.224	experimental	[2] Wang 2022	Table 4, p. 8, row 11 report
Phase composition	1073	Phase 1 Phase 1: Al 0.2568, Co 0.5188, Fe 0.2245	experimental	[2] Wang 2022	Table 4, p. 8, row 9 report
Phase composition	1073	Phase 1 Phase 1: Al 0.2901, Co 0.5607, Fe 0.1492	experimental	[2] Wang 2022	Table 4, p. 8, row 8 report
Phase composition	1073	Phase 1 Phase 1: Al 0.1863, Co 0.1083, Fe 0.7054	experimental	[2] Wang 2022	Table 4, p. 8, row 16 report
Phase composition	1073	Phase 1 + Phase 2 Phase 1: Al 0.0515, Co 0.8457, Fe 0.1028; Phase 2: Al 0.2924, Co 0.5953, Fe 0.1123	experimental	[2] Wang 2022	Table 4, p. 8, row 3 report
Phase composition	1073	Phase 1 + Phase 2 Phase 1: Al 0.0458, Co 0.7797, Fe 0.1745; Phase 2: Al 0.1711, Co 0.6061, Fe 0.2228	experimental	[2] Wang 2022	Table 4, p. 8, row 1 report
Phase composition	1073	Phase 1 + Phase 2 Phase 1: Al 0.1251, Co 0.6231, Fe 0.2519; Phase 2: Al 0.0495, Co 0.7602, Fe 0.1904	experimental	[2] Wang 2022	Table 4, p. 8, row 4 report
Phase composition	1073	Phase 1 + Phase 2 Phase 1: Al 0.0633, Co 0.7694, Fe 0.1673; Phase 2: Al 0.1887, Co 0.6047, Fe 0.2066	experimental	[2] Wang 2022	Table 4, p. 8, row 2 report
Phase composition	1073	Phase 1 + Phase 2 Phase 1: Al 0.0495, Co 0.7984, Fe 0.1522; Phase 2: Al 0.2504, Co 0.5913, Fe 0.1583	experimental	[2] Wang 2022	Table 4, p. 8, row 5 report
Phase composition	1273	Phase 1 + Phase 2 Phase 1: Al 0.5077, Co 0.0335, Fe 0.4588; Phase 2: Al 0.6356, Co 0.0143, Fe 0.3501	experimental	[2] Wang 2022	Table 3, p. 7, row 1 report
Phase composition	1273	Phase 1 + Phase 2 Phase 1: Al 0.5082, Co 0.065, Fe 0.4268; Phase 2: Al 0.6389, Co 0.0282, Fe 0.3329	experimental	[2] Wang 2022	Table 3, p. 7, row 2 report
Phase composition	1273	Phase 1 + Phase 2 + Phase 3 Phase 1: Al 0.511, Co 0.1564, Fe 0.3326; Phase 2: Al 0.6502, Co 0.0681, Fe 0.2816; Phase 3: Al 0.6895, Co 0.0956, Fe 0.215	experimental	[2] Wang 2022	Table 3, p. 7, row 3 report
Phase composition	1273	Phase 1 + Phase 3 Phase 1: Al 0.5041, Co 0.3676, Fe 0.1283; Phase 3: Al 0.6976, Co 0.1923, Fe 0.1101	experimental	[2] Wang 2022	Table 3, p. 7, row 5 report
Phase composition	1273	Phase 1 + Phase 3 Phase 1: Al 0.5098, Co 0.2577, Fe 0.2326; Phase 3: Al 0.6938, Co 0.1398, Fe 0.1665	experimental	[2] Wang 2022	Table 3, p. 7, row 4 report
Phase composition	1273	Phase 1 + Phase 3 Phase 1: Al 0.5017, Co 0.4599, Fe 0.0384; Phase 3: Al 0.7006, Co 0.2543, Fe 0.0451	experimental	[2] Wang 2022	Table 3, p. 7, row 6 report
Phase composition	1343	Phase 1 Phase 1: Al 0.5214, Co 0.1527, Fe 0.3259	experimental	[2] Wang 2022	Table 3, p. 7, row 9 report
Phase composition	1343	Phase 1 Phase 1: Al 0.5121, Co 0.4503, Fe 0.0376	experimental	[2] Wang 2022	Table 3, p. 7, row 12 report
Phase composition	1343	Phase 1 + Phase 2 Phase 1: Al 0.5115, Co 0.0681, Fe 0.4203; Phase 2: Al 0.6436, Co 0.0323, Fe 0.3242	experimental	[2] Wang 2022	Table 3, p. 7, row 8 report
Phase composition	1343	Phase 1 + Phase 2 Phase 1: Al 0.5097, Co 0.0374, Fe 0.4529; Phase 2: Al 0.6384, Co 0.0182, Fe 0.3434	experimental	[2] Wang 2022	Table 3, p. 7, row 7 report
Phase composition	1343	Phase 1 + Phase 3 Phase 1: Al 0.5244, Co 0.3372, Fe 0.1384; Phase 3: Al 0.7, Co 0.1884, Fe 0.1116	experimental	[2] Wang 2022	Table 3, p. 7, row 11 report
Phase composition	1343	Phase 1 + Phase 3 Phase 1: Al 0.5257, Co 0.2443, Fe 0.23; Phase 3: Al 0.6944, Co 0.1417, Fe 0.1639	experimental	[2] Wang 2022	Table 3, p. 7, row 10 report

Sources

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

Marlena Ostrowska, Gabriele Cacciamani, Critical evaluation and thermodynamic modeling of the Al-Co-Fe system, Journal of Alloys and Compounds 794, 553-568 (2019). doi:10.1016/j.jallcom.2019.04.170
Jingjing Wang, Yu Zhang, Weisen Zheng, Xiao-Gang Lu, Thermodynamic and diffusion kinetic studies of the Co-Al–Fe system, J Mater Sci 57, 7343-7366 (2022). doi:10.1007/s10853-022-07109-8

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}
}