Fe–Sn–Zr system

41 accepted literature values from 1 paper(s) (model 37, unspecified 4); 0 calculated phase diagram(s).

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Accepted values by evidence class
Evidence class	Values
model	37
unspecified	4

Accepted values by property group
Property group	Values
phase equilibrium	4
formation	12
mixing / partial	25

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, Fe–Sn–Zr system (12)
Phase	Value	Class	Source	Location
Fe17.39Sn43.47Zr39.13 (X'')	-41.28 kJ/mol-atom	model	[1] Lafaye 2020	Table 7, p. 8, row 12 report
Fe17.39Sn43.47Zr39.13 (X″)	-39.86 kJ/mol-atom	model	[1] Lafaye 2020	Table 7, p. 8, row 5 report
Fe17.65Sn39.22Zr43.13 (X')	-47.605 kJ/mol-atom	model	[1] Lafaye 2020	Table 7, p. 8, row 6 report
Fe36.36Sn36.36Zr27.27 (N)	-28.97 kJ/mol-atom	model	[1] Lafaye 2020	Table 7, p. 8, row 1 report
Fe36.36Sn36.36Zr27.27 (N)	-27.623 kJ/mol-atom	model	[1] Lafaye 2020	Table 7, p. 8, row 1 report
Fe56.24Sn28.13Zr15.63 (Y)	-18.146 kJ/mol-atom	model	[1] Lafaye 2020	Table 7, p. 8, row 7 report
Fe6Sn6Zr	-8.94 kJ/mol-atom	model	[1] Lafaye 2020	Table 7, p. 8, row 3 report
Fe6Sn6Zr	-8.789 kJ/mol-atom	model	[1] Lafaye 2020	Table 7, p. 8, row 3 report
FeSn2Zr6 (θ)	-40.881 kJ/mol-atom	model	[1] Lafaye 2020	Table 7, p. 8, row 9 report
FeSn2Zr6 (θ)	-39.437 kJ/mol-atom	model	[1] Lafaye 2020	Table 7, p. 8, row 2 report
Zr5Sn2.3Fe0.7	-41.657 kJ/mol-atom	model	[1] Lafaye 2020	Table 7, p. 8, row 4 report
Zr5Sn2.3Fe0.7	-40.035 kJ/mol-atom	model	[1] Lafaye 2020	Table 7, p. 8, row 4 report

Other properties

Phase equilibrium (4)

Phase equilibrium, Fe–Sn–Zr system
Property	T (K)	Phases / composition	Class	Source	Location
Phase composition	1273.15	W5Si3 + Mn5Si3 + ? W5Si3: Fe 0.088, Sn 0.306, Zr 0.606; Mn5Si3: Fe 0.005, Sn 0.392, Zr 0.603; ?: Fe 0.669, Sn 0.002, Zr 0.329	unspecified	[1] Lafaye 2020	Table 6, p. 8, row 4 report
Phase composition	1273.15	W5Si3 + Mn5Si3 + ? W5Si3: Fe 0.093, Sn 0.283, Zr 0.624; Mn5Si3: Fe 0.004, Sn 0.377, Zr 0.619; ?: Fe 0.66, Sn 0.002, Zr 0.338	unspecified	[1] Lafaye 2020	Table 6, p. 8, row 3 report
Phase composition	1273.15	W5Si3 + Mn5Si3 + ? W5Si3: Fe 0.093, Sn 0.293, Zr 0.614; Mn5Si3: Fe 0.012, Sn 0.387, Zr 0.601; ?: Fe 0.664, Sn 0.002, Zr 0.334	unspecified	[1] Lafaye 2020	Table 6, p. 8, row 2 report
Phase composition	1623.15	W5Si3 W5Si3: Fe 0.092, Sn 0.301, Zr 0.607	unspecified	[1] Lafaye 2020	Table 6, p. 8, row 1 report

Mixing / partial (25)

Mixing / partial, Fe–Sn–Zr system
Property	Value	Phases / composition	Class	Source	Location
Enthalpy of mixing printed: ΔHmix	2.34 kJ/mol-atom	bcc	model	[1] Lafaye 2020	Table 3, p. 5, row 10 report
Enthalpy of mixing printed: ΔHmix	15.07 kJ/mol-atom	bcc	model	[1] Lafaye 2020	Table 3, p. 5, row 7 report
Enthalpy of mixing printed: ΔHmix	5.12 kJ/mol-atom	bcc	model	[1] Lafaye 2020	Table 3, p. 5, row 22 report
Enthalpy of mixing printed: ΔHmix	9.47 kJ/mol-atom	bcc	model	[1] Lafaye 2020	Table 3, p. 5, row 23 report
Enthalpy of mixing printed: ΔHmix	4.5 kJ/mol-atom	bcc	model	[1] Lafaye 2020	Table 3, p. 5, row 9 report
Enthalpy of mixing printed: ΔHmix	1.81 kJ/mol-atom	bcc	model	[1] Lafaye 2020	Table 3, p. 5, row 25 report
Enthalpy of mixing printed: ΔHmix	12.81 kJ/mol-atom	bcc	model	[1] Lafaye 2020	Table 3, p. 5, row 8 report
Enthalpy of mixing printed: ΔHmix	7.71 kJ/mol-atom	bcc	model	[1] Lafaye 2020	Table 3, p. 5, row 6 report
Enthalpy of mixing printed: ΔHmix	8.19 kJ/mol-atom	bcc	model	[1] Lafaye 2020	Table 3, p. 5, row 24 report
Enthalpy of mixing printed: ΔHmix	2.6 kJ/mol-atom	bcc	model	[1] Lafaye 2020	Table 3, p. 5, row 21 report
Enthalpy of mixing printed: ΔHmix	2.51 kJ/mol-atom	fcc	model	[1] Lafaye 2020	Table 3, p. 5, row 16 report
Enthalpy of mixing printed: ΔHmix	3.08 kJ/mol-atom	fcc	model	[1] Lafaye 2020	Table 3, p. 5, row 20 report
Enthalpy of mixing printed: ΔHmix	7.75 kJ/mol-atom	fcc	model	[1] Lafaye 2020	Table 3, p. 5, row 18 report
Enthalpy of mixing printed: ΔHmix	1.91 kJ/mol-atom	fcc	model	[1] Lafaye 2020	Table 3, p. 5, row 5 report
Enthalpy of mixing printed: ΔHmix	5.02 kJ/mol-atom	fcc	model	[1] Lafaye 2020	Table 3, p. 5, row 1 report
Enthalpy of mixing printed: ΔHmix	5.94 kJ/mol-atom	fcc	model	[1] Lafaye 2020	Table 3, p. 5, row 19 report
Enthalpy of mixing printed: ΔHmix	11.88 kJ/mol-atom	fcc	model	[1] Lafaye 2020	Table 3, p. 5, row 2 report
Enthalpy of mixing printed: ΔHmix	8.11 kJ/mol-atom	fcc	model	[1] Lafaye 2020	Table 3, p. 5, row 4 report
Enthalpy of mixing printed: ΔHmix	14.02 kJ/mol-atom	fcc	model	[1] Lafaye 2020	Table 3, p. 5, row 3 report
Enthalpy of mixing printed: ΔHmix	5.06 kJ/mol-atom	fcc	model	[1] Lafaye 2020	Table 3, p. 5, row 17 report
Enthalpy of mixing printed: ΔHmix	5.05 kJ/mol-atom	hcp	model	[1] Lafaye 2020	Table 3, p. 5, row 11 report
Enthalpy of mixing printed: ΔHmix	9.76 kJ/mol-atom	hcp	model	[1] Lafaye 2020	Table 3, p. 5, row 13 report
Enthalpy of mixing printed: ΔHmix	4.21 kJ/mol-atom	hcp	model	[1] Lafaye 2020	Table 3, p. 5, row 14 report
Enthalpy of mixing printed: ΔHmix	11.26 kJ/mol-atom	hcp	model	[1] Lafaye 2020	Table 3, p. 5, row 12 report
Enthalpy of mixing printed: ΔHmix	1.52 kJ/mol-atom	hcp	model	[1] Lafaye 2020	Table 3, p. 5, row 15 report

Sources

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

Paul Lafaye, Caroline Toffolon-Masclet, Jean-Claude Crivello, Jean-Marc Joubert, Thermodynamic modelling of the Fe–Sn–Zr system based on new experiments and first-principles calculations, Journal of Alloys and Compounds 821, 153200 (2020). doi:10.1016/j.jallcom.2019.153200

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}
}