Al–Fe–Zr system

76 accepted literature values from 2 paper(s) (experimental 19, model 57); 0 calculated phase diagram(s).

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Accepted values by evidence class
Evidence class	Values
experimental	19
model	57

Accepted values by property group
Property group	Values
invariant reaction	60
formation	16

Invariant reactions (literature)

Invariant reactions reported in the literature for the Al–Fe–Zr system (60)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
1946	other: liq. + Al2Zr + Fe2Zr	L: Al 0.5535, Fe 0.1166, Zr 0.3299; liq.: Al 0.5535, Fe 0.1166, Zr 0.3299	model	[1] Guo 2008	Table 3, p. 7, row 1 report
1930	other: liq. + Al2Zr + Fe2Zr	L: Al 0.6332, Fe 0.0334, Zr 0.3334; liq.: Al 0.6332, Fe 0.0334, Zr 0.3334	model	[1] Guo 2008	Table 3, p. 7, row 2 report
1916	other: liq. + Al2Zr + Fe2Zr	L: Al 0.192, Fe 0.4816, Zr 0.3264; liq.: Al 0.192, Fe 0.4816, Zr 0.3264	model	[1] Guo 2008	Table 3, p. 7, row 3 report
1848	quasi-peritectic: liq. + Al2Zr -> Al3Zr2 + Fe2Zr	L: Al 0.5736, Fe 0.0096, Zr 0.4168; liq.: Al 0.5736, Fe 0.0096, Zr 0.4168	model	[1] Guo 2008	Table 3, p. 7, row 9 report
1767	other: liq. + Al2Zr + Al4Zr5	L: Al 0.4425, Fe 0.0487, Zr 0.5088; liq.: Al 0.4425, Fe 0.0487, Zr 0.5088	model	[1] Guo 2008	Table 3, p. 7, row 4 report
1743	quasi-peritectic: liq. + Al2Zr -> Fe2Zr + Al3Zr	L: Al 0.7113, Fe 0.1099, Zr 0.1788; liq.: Al 0.7113, Fe 0.1099, Zr 0.1788	model	[1] Guo 2008	Table 3, p. 7, row 10 report
1739	quasi-peritectic: liq. + Al2Zr -> Al4Zr5 + Fe2Zr	L: Al 0.4975, Fe 0.0185, Zr 0.484; liq.: Al 0.4975, Fe 0.0185, Zr 0.484	model	[1] Guo 2008	Table 3, p. 7, row 11 report
1733	eutectic: liq. -> Al3Zr2 + Al4Zr5 + Fe2Zr	L: Al 0.503, Fe 0.0153, Zr 0.4817; liq.: Al 0.503, Fe 0.0153, Zr 0.4817	model	[1] Guo 2008	Table 3, p. 7, row 12 report
1723	peritectic: liq. + Fe2Zr + Al3Zr -> τ3		experimental	[1] Guo 2008 cites Raghavan 2006 doi	Table 3, p. 7, row 14 report
1720	peritectic: liq. + Fe2Zr + Al3Zr -> τ3	L: Al 0.7052, Fe 0.1278, Zr 0.167; liq.: Al 0.7052, Fe 0.1278, Zr 0.167	model	[1] Guo 2008	Table 3, p. 7, row 13 report
1681	quasi-peritectic: liq. + Al4Zr5 -> Al2Zr + Al2Zr3	L: Al 0.3417, Fe 0.0923, Zr 0.566; liq.: Al 0.3417, Fe 0.0923, Zr 0.566	model	[1] Guo 2008	Table 3, p. 7, row 15 report
1633	other: liq. + Al2Zr + τ1		experimental	[1] Guo 2008 cites Raghavan 2006 doi	Table 3, p. 7, row 6 report
1616	other: liq. + Al2Zr + τ1	L: Al 0.4814, Fe 0.3962, Zr 0.1224; liq.: Al 0.4814, Fe 0.3962, Zr 0.1224	model	[1] Guo 2008	Table 3, p. 7, row 5 report
1601	quasi-peritectic: liq. + Al2Zr -> Fe2Zr + τ1	L: Al 0.567, Fe 0.3124, Zr 0.1206; liq.: Al 0.567, Fe 0.3124, Zr 0.1206	model	[1] Guo 2008	Table 3, p. 7, row 16 report
1592	other: liq. + bcc + τ1	L: Al 0.4225, Fe 0.5395, Zr 0.038; liq.: Al 0.4225, Fe 0.5395, Zr 0.038	model	[1] Guo 2008	Table 3, p. 7, row 7 report
1578	quasi-peritectic: liq. + hex.-Fe2Zr -> fcc + Fe2Zr	L: Al 0.0017, Fe 0.8955, Zr 0.1028; liq.: Al 0.0017, Fe 0.8955, Zr 0.1028	model	[1] Guo 2008	Table 3, p. 7, row 17 report
1576	quasi-peritectic: liq. + fcc -> bcc + Fe2Zr	L: Al 0.0049, Fe 0.892, Zr 0.1031; liq.: Al 0.0049, Fe 0.892, Zr 0.1031	model	[1] Guo 2008	Table 3, p. 7, row 18 report
1570	quasi-peritectic: liq. + fcc -> bcc + Fe2Zr		experimental	[1] Guo 2008 cites Stein 2004 doi	Table 3, p. 7, row 19 report
1564	quasi-peritectic: Al4Zr5 + Fe2Zr -> Al2Zr + Al3Zr2		model	[1] Guo 2008	Table 3, p. 7, row 46 report
1561	quasi-peritectic: liq. + Fe2Zr -> τ3 + τ1	L: Al 0.6388, Fe 0.2518, Zr 0.1094; liq.: Al 0.6388, Fe 0.2518, Zr 0.1094	model	[1] Guo 2008	Table 3, p. 7, row 20 report
1553	other: liq. + bcc + τ1		experimental	[1] Guo 2008 cites Stein 2004 doi	Table 3, p. 7, row 8 report
1553	quasi-peritectic: liq. + Fe2Zr -> τ3 + τ1		experimental	[1] Guo 2008 cites Raghavan 2006 doi	Table 3, p. 7, row 21 report
1547	quasi-peritectic: liq. + Al3Zr5 -> Al2Zr3 + bcc	L: Al 0.2336, Fe 0.1043, Zr 0.6621; liq.: Al 0.2336, Fe 0.1043, Zr 0.6621	model	[1] Guo 2008	Table 3, p. 7, row 22 report
1525	quasi-peritectic: liq. + Fe2Zr -> Al2Zr + bcc	L: Al 0.1778, Fe 0.7136, Zr 0.1086; liq.: Al 0.1778, Fe 0.7136, Zr 0.1086	model	[1] Guo 2008	Table 3, p. 7, row 23 report
1523	quasi-peritectic: liq. + τ3 -> Al3Zr + τ1		experimental	[1] Guo 2008 cites Raghavan 2006 doi	Table 3, p. 7, row 25 report
1522	quasi-peritectic: liq. + τ3 -> Al3Zr + τ1	L: Al 0.6912, Fe 0.2229, Zr 0.0859; liq.: Al 0.6912, Fe 0.2229, Zr 0.0859	model	[1] Guo 2008	Table 3, p. 7, row 24 report
1519	eutectic: liq. -> Al2Zr + bcc + τ1		experimental	[1] Guo 2008 cites Stein 2004 doi	Table 3, p. 7, row 27 report
1509	eutectic: liq. -> Al2Zr + bcc + τ1	L: Al 0.3044, Fe 0.5991, Zr 0.0965; liq.: Al 0.3044, Fe 0.5991, Zr 0.0965	model	[1] Guo 2008	Table 3, p. 7, row 26 report
1505	quasi-peritectic: Al2Zr + Al3Zr2 -> Fe2Zr + AlZr		model	[1] Guo 2008	Table 3, p. 7, row 48 report
1498	quasi-peritectic: liq. + FeAl -> Fe4Al5 + τ1		experimental	[1] Guo 2008 cites Raghavan 2006 doi	Table 3, p. 7, row 29 report
1486	quasi-peritectic: liq. + FeAl -> Fe4Al5 + τ1	L: Al 0.5945, Fe 0.4001, Zr 0.0054; liq.: Al 0.5945, Fe 0.4001, Zr 0.0054	model	[1] Guo 2008	Table 3, p. 7, row 28 report
1428	peritectic: liq. + Fe4Al5 + Fe2Al5 -> FeAl2	L: Al 0.6819, Fe 0.3161, Zr 0.002; liq.: Al 0.6819, Fe 0.3161, Zr 0.002	model	[1] Guo 2008	Table 3, p. 7, row 30 report
1428	peritectic: liq. + Fe4Al5 + Fe2Al5 -> FeAl2		experimental	[1] Guo 2008 cites Raghavan 2006 doi	Table 3, p. 7, row 31 report
1427	quasi-peritectic: liq. + Fe4Al5 -> FeAl2 + τ1	L: Al 0.6794, Fe 0.3168, Zr 0.0038; liq.: Al 0.6794, Fe 0.3168, Zr 0.0038	model	[1] Guo 2008	Table 3, p. 7, row 32 report
1427	quasi-peritectic: liq. + FeAl2 -> τ1 + Fe2Al5	L: Al 0.6808, Fe 0.3153, Zr 0.0039; liq.: Al 0.6808, Fe 0.3153, Zr 0.0039	model	[1] Guo 2008	Table 3, p. 7, row 33 report
1421	quasi-peritectic: liq. + Al2Zr3 -> Al2Zr + bcc	L: Al 0.1424, Fe 0.2113, Zr 0.6463; liq.: Al 0.1424, Fe 0.2113, Zr 0.6463	model	[1] Guo 2008	Table 3, p. 7, row 34 report
1420	peritectic: liq. + Al2Zr + bcc -> τ2	L: Al 0.1406, Fe 0.2127, Zr 0.6467; liq.: Al 0.1406, Fe 0.2127, Zr 0.6467	model	[1] Guo 2008	Table 3, p. 7, row 35 report
1420	quasi-peritectic: Al2Zr + bcc -> Al2Zr3 + τ2		model	[1] Guo 2008	Table 3, p. 7, row 49 report
1418	quasi-peritectic: Al2Zr3 + bcc -> τ2 + Al3Zr5		model	[1] Guo 2008	Table 3, p. 7, row 50 report
1416	quasi-peritectic: liq. + Fe2Al5 -> Fe4Al13 + τ1	L: Al 0.7506, Fe 0.238, Zr 0.0114; liq.: Al 0.7506, Fe 0.238, Zr 0.0114	model	[1] Guo 2008	Table 3, p. 7, row 37 report
1413	quasi-peritectic: liq. + Fe2Al5 -> Fe4Al13 + τ1		experimental	[1] Guo 2008 cites Raghavan 2006 doi	Table 3, p. 7, row 38 report
1412	quasi-peritectic: Al3Zr5 + bcc -> τ2 + AlZr2		model	[1] Guo 2008	Table 3, p. 7, row 51 report
1390	quasi-peritectic: liq. + Al2Zr -> τ2 + Fe2Zr	L: Al 0.0886, Fe 0.2551, Zr 0.6563; liq.: Al 0.0886, Fe 0.2551, Zr 0.6563	model	[1] Guo 2008	Table 3, p. 7, row 39 report
1389	quasi-peritectic: liq. + τ1 -> Fe4Al13 + Al3Zr		experimental	[1] Guo 2008 cites Stein 2004 doi	Table 3, p. 7, row 41 report
1385	quasi-peritectic: liq. + τ1 -> Fe4Al13 + Al3Zr	L: Al 0.7945, Fe 0.1776, Zr 0.0279; liq.: Al 0.7945, Fe 0.1776, Zr 0.0279	model	[1] Guo 2008	Table 3, p. 7, row 40 report
1368	eutectic: Fe4Al5 -> FeAl + FeAl2 + τ1		model	[1] Guo 2008	Table 3, p. 7, row 52 report
1350	peritectic: liq. + Al2Zr + bcc -> τ2		experimental	[1] Guo 2008 cites Raghavan 2006 doi	Table 3, p. 7, row 36 report
1329	quasi-peritectic: Al3Zr5 + τ2 -> Al2Zr3 + AlZr2		model	[1] Guo 2008	Table 3, p. 7, row 53 report
1267	quasi-peritectic: bcc + AlZr2 -> AlZr3 + τ2		model	[1] Guo 2008	Table 3, p. 7, row 56 report
1248	peritectic: liq. + Fe2Zr + τ2 -> FeZr2	L: Al 0.0118, Fe 0.2941, Zr 0.6941; liq.: Al 0.0118, Fe 0.2941, Zr 0.6941	model	[1] Guo 2008	Table 3, p. 7, row 42 report
1232	quasi-peritectic: liq. + τ2 -> bcc + FeZr2	L: Al 0.0078, Fe 0.2761, Zr 0.7161; liq.: Al 0.0078, Fe 0.2761, Zr 0.7161	model	[1] Guo 2008	Table 3, p. 7, row 43 report
1161	quasi-peritectic: bcc + AlZr3 -> hcp + τ2		model	[1] Guo 2008	Table 3, p. 7, row 57 report
1116	quasi-peritectic: bcc + FeZr2 -> FeZr3 + τ2		model	[1] Guo 2008	Table 3, p. 7, row 58 report
1068	quasi-peritectic: FeZr2 + τ2 -> Fe2Zr + FeZr3		model	[1] Guo 2008	Table 3, p. 7, row 59 report
1048	eutectic: bcc -> τ2 + hcp + FeZr3		model	[1] Guo 2008	Table 3, p. 7, row 60 report
927	eutectic: liq. -> Al3Zr + Fe4Al13 + fcc	L: Al 0.9908, Fe 0.0089, Zr 3.000e-4; liq.: Al 0.9908, Fe 0.0089, Zr 3.000e-4	model	[1] Guo 2008	Table 3, p. 7, row 44 report
923	eutectic: liq. -> Al3Zr + Fe4Al13 + fcc		experimental	[1] Guo 2008 cites Raghavan 2006 doi	Table 3, p. 7, row 45 report
811	quasi-peritectic: Al2Zr + Al2Zr3 -> Al3Zr4 + τ2		model	[1] Guo 2008	Table 3, p. 7, row 61 report
607	quasi-peritectic: Al2Zr + Al3Zr4 -> τ2 + AlZr		model	[1] Guo 2008	Table 3, p. 7, row 62 report
374	eutectic: FeAl2 -> FeAl + Fe2Al5 + τ1		model	[1] Guo 2008	Table 3, p. 7, row 63 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–Fe–Zr system (16)
Phase	Value	T (K)	Class	Source	Location
Zr(AlxFe1−x)2 Laves	-232 kJ/mol (basis unstated)	298.15	experimental	[2] Rigaud 2009 cites Klein 1994 doi	Table 2, p. 5, row 12 report
Zr(AlxFe1−x)2 Laves	-178 kJ/mol (basis unstated)		model	[2] Rigaud 2009 cites Goncalves 1996 doi	Table 2, p. 5, row 13 report
Zr(AlxFe1−x)2 Laves	-162 kJ/mol (basis unstated)		model	[2] Rigaud 2009 cites Goncalves 1996 doi	Table 2, p. 5, row 10 report
Zr(AlxFe1−x)2 Laves	-157 kJ/mol (basis unstated)		model	[2] Rigaud 2009	Table 2, p. 5, row 16 report
Zr(AlxFe1−x)2 Laves	-154 kJ/mol (basis unstated)	298.15	experimental	[2] Rigaud 2009 cites Klein 1994 doi	Table 2, p. 5, row 15 report
Zr(AlxFe1−x)2 Laves	-153 kJ/mol (basis unstated)		model	[2] Rigaud 2009	Table 2, p. 5, row 14 report
Zr(AlxFe1−x)2 Laves	-140 kJ/mol (basis unstated)		model	[2] Rigaud 2009	Table 2, p. 5, row 11 report
Zr(AlxFe1−x)2 Laves	-125 kJ/mol (basis unstated)	298.15	experimental	[2] Rigaud 2009 cites Klein 1994 doi	Table 2, p. 5, row 9 report
Zr(AlxFe1−x)2 Laves	-121 kJ/mol (basis unstated)		model	[2] Rigaud 2009 cites Goncalves 1996 doi	Table 2, p. 5, row 7 report
Zr(AlxFe1−x)2 Laves	-105 kJ/mol (basis unstated)		model	[2] Rigaud 2009	Table 2, p. 5, row 8 report
Zr(AlxFe1−x)2 Laves	-101 kJ/mol (basis unstated)		model	[2] Rigaud 2009 cites Goncalves 1996 doi	Table 2, p. 5, row 4 report
Zr(AlxFe1−x)2 Laves	-86 kJ/mol (basis unstated)		model	[2] Rigaud 2009	Table 2, p. 5, row 5 report
Zr(AlxFe1−x)2 Laves	-83 kJ/mol (basis unstated)	298.15	experimental	[2] Rigaud 2009 cites Klein 1994 doi	Table 2, p. 5, row 6 report
Zr(AlxFe1−x)2 Laves	-74 kJ/mol (basis unstated)	298.15	experimental	[2] Rigaud 2009 cites Klein 1994 doi	Table 2, p. 5, row 3 report
Zr(AlxFe1−x)2 Laves	-71 kJ/mol (basis unstated)	298.15	experimental	[2] Rigaud 2009 cites Klein 1994 doi	Table 2, p. 5, row 1 report
Zr(AlxFe1−x)2 Laves	-71 kJ/mol (basis unstated)		model	[2] Rigaud 2009	Table 2, p. 5, row 2 report

Sources

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

Cuiping Guo, Zhenmin Du, Changrong Li, Baoliang Zhang, Mei Tao, Thermodynamic description of the Al–Fe–Zr system, Calphad 32, 637-649 (2008). doi:10.1016/j.calphad.2008.08.007
Vincent Rigaud, Bo Sundman, Dominique Daloz, Gérard Lesoult, Thermodynamic assessment of the Fe–Al–Zr phase diagram, Calphad 33, 442-449 (2009). doi:10.1016/j.calphad.2009.05.003

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}
}