Fe–Mn system

31 accepted literature values from 6 paper(s) (experimental 8, model 20, DFT 3); 7 calculated phase diagram(s). 1 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (9) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	8
model	20
DFT	3

Accepted values by property group
Property group	Values
invariant reaction	22
formation	6
mixing / partial	3

Calculated phase diagrams

Binary phase diagrams calculated with pycalphad 0.11.2 from the SGTE binary collection (Hallstedt 2025, CC BY 4.0). Evidence class: model.

Assessments with a calculated phase diagram
TDB file	Assessment	SHA-256	Links
FeMn-04Wit.tdb	V.T. Witusiewicz, F. Sommer, E.J. Mittemeijer, J. Phase Equilib., 25, 346-54(2004). doi:10.1361/15477030420115	`df83d83606098227a3c4ec8e0ae81239ccda189f63af5f7ee1886a8a2b90d8c7`	viewer · TDB · JSON
FeMn-19Big-3g.tdb	S. Bigdeli, M. Selleby, Calphad, 64, 185-95(2019). doi:10.1016/j.calphad.2018.11.011	`fc3b68475c2b54fbc268506a1e29b384351815b42b161004caaab01be6dc5c1c`	viewer · TDB · JSON
FeMn-23Jac.tdb	A. Jacob, E. Povoden-Karadeniz, P. Retzl, E. Kozeschnik, Calphad, 81, 102531(2023). doi:10.1016/j.calphad.2023.102531	`b1d4b760eabbecaed228481258d9ed0e492ec87a500710a4da07f623450ad371`	viewer · TDB · JSON
FeMn-87Hua.tdb	W. Huang, Calphad, 11, 183-86(1987). doi:10.1016/0364-5916(87)90013-7	`3c63e147d2ae5b365173e4eccd8453ec996a1703a13442fe2ac6eb4b563f7d23`	viewer · TDB · JSON
FeMn-89Hua-LB.tdb	W. Huang, Calphad, 13, 243-52(1989). doi:10.1016/0364-5916(89)90004-7	`e2d34b9be367a6592d55ec938ccbdd03ee8ff5fe60c738aef370802237c719fb`	viewer · TDB · JSON
FeMn-89Hua-modified.tdb	W. Huang, Calphad, 13, 243-52(1989). doi:10.1016/0364-5916(89)90004-7	`8767948ee291af1ef9b059b2c7afcc03d248c90512e1b6d2fb52f40903dd06e4`	viewer · TDB · JSON
FeMn-89Lee.tdb	B.-J. Lee, D.N. Lee, Calphad, 13, 345-54(1989). doi:10.1016/0364-5916(89)90024-2	`8d5883ffc9634f3577d0b3ded68da5f3f96c501faa7893d2fbba9bbe29c1d1bd`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
FeMn-04Wit.tdb	1748.34	BCC_A2 (x(Mn) 0.10043) + FCC_A1 (x(Mn) 0.10242) + LIQUID (x(Mn) 0.13053)
FeMn-04Wit.tdb	1509.55	FCC_A1 (x(Mn) 0.86827) + LIQUID (x(Mn) 0.87749) + BCC_A2 (x(Mn) 0.87831)
FeMn-04Wit.tdb	973.48	FCC_A1 (x(Mn) 0.59179) + CUB_A13 (x(Mn) 0.66955) + CBCC_A12 (x(Mn) 0.67909)
FeMn-04Wit.tdb	524.1	BCC_A2 (x(Mn) 0.02136) + FCC_A1 (x(Mn) 0.43384) + CBCC_A12 (x(Mn) 0.65111)
FeMn-19Big-3g.tdb	1746.24	BCC_A2 (x(Mn) 0.10142) + FCC_A1 (x(Mn) 0.10325) + LIQUID (x(Mn) 0.13087)
FeMn-19Big-3g.tdb	1507.39	FCC_A1 (x(Mn) 0.86578) + LIQUID (x(Mn) 0.87523) + BCC_A2 (x(Mn) 0.8763)
FeMn-19Big-3g.tdb	982.12	FCC_A1 (x(Mn) 0.57756) + CUB_A13 (x(Mn) 0.68536) + CBCC_A12 (x(Mn) 0.69367)
FeMn-19Big-3g.tdb	490.15	BCC_A2 (x(Mn) 0.03884) + FCC_A1 (x(Mn) 0.41059) + CBCC_A12 (x(Mn) 0.72904)
FeMn-23Jac.tdb	1659.51	FCC_A1 (x(Mn) 0.44002) + BCC_A2 (x(Mn) 0.45628) + LIQUID (x(Mn) 0.49864)
FeMn-23Jac.tdb	1571.77	FCC_A1 (x(Mn) 0.69284) + BCC_A2 (x(Mn) 0.70911) + LIQUID (x(Mn) 0.73751)
FeMn-23Jac.tdb	1317.45	BCC_A2 (x(Mn) 1) + CUB_A13 (x(Mn) 1) + FCC_A1 (x(Mn) 1)
FeMn-23Jac.tdb	986.84	FCC_A1 (x(Mn) 0.63627) + CUB_A13 (x(Mn) 0.69926) + CBCC_A12 (x(Mn) 0.70559)
FeMn-23Jac.tdb	507.68	BCC_A2 (x(Mn) 0.0247) + FCC_A1 (x(Mn) 0.44288) + CBCC_A12 (x(Mn) 0.64358)
FeMn-87Hua.tdb	1746.89	BCC_A2 (x(Mn) 0.09287) + FCC_A1 (x(Mn) 0.09394) + LIQUID (x(Mn) 0.1207)
FeMn-87Hua.tdb	1509.65	FCC_A1 (x(Mn) 0.89545) + LIQUID (x(Mn) 0.90225) + BCC_A2 (x(Mn) 0.90476)
FeMn-87Hua.tdb	969.62	FCC_A1 (x(Mn) 0.56748) + CUB_A13 (x(Mn) 0.69236) + CBCC_A12 (x(Mn) 0.69419)
FeMn-87Hua.tdb	568.67	BCC_A2 (x(Mn) 0.01038) + FCC_A1 (x(Mn) 0.40295) + CBCC_A12 (x(Mn) 0.683)
FeMn-89Hua-LB.tdb	1746.75	BCC_A2 (x(Mn) 0.10035) + FCC_A1 (x(Mn) 0.10141) + LIQUID (x(Mn) 0.1291)
FeMn-89Hua-LB.tdb	1507.22	FCC_A1 (x(Mn) 0.86744) + LIQUID (x(Mn) 0.87529) + BCC_A2 (x(Mn) 0.8765)
FeMn-89Hua-LB.tdb	973.23	FCC_A1 (x(Mn) 0.60613) + CUB_A13 (x(Mn) 0.68092) + CBCC_A12 (x(Mn) 0.68965)
FeMn-89Hua-LB.tdb	521.29	BCC_A2 (x(Mn) 0.03324) + FCC_A1 (x(Mn) 0.43577) + CBCC_A12 (x(Mn) 0.65932)
FeMn-89Hua-modified.tdb	1746.75	BCC_A2 (x(Mn) 0.10036) + FCC_4SL (x(Mn) 0.10142) + LIQUID (x(Mn) 0.1291)
FeMn-89Hua-modified.tdb	1746.75	BCC_A2 (x(Mn) 0.10036) + FCC_A1 (x(Mn) 0.10142) + LIQUID (x(Mn) 0.1291)
FeMn-89Hua-modified.tdb	1667.47	BCC_A2 (x(Mn) 0) + FCC_4SL (x(Mn) 0) + FCC_A1 (x(Mn) 0)
FeMn-89Hua-modified.tdb	1507.22	FCC_4SL (x(Mn) 0.86739) + LIQUID (x(Mn) 0.87524) + BCC_A2 (x(Mn) 0.87645)
FeMn-89Hua-modified.tdb	1507.22	FCC_A1 (x(Mn) 0.86739) + LIQUID (x(Mn) 0.87524) + BCC_A2 (x(Mn) 0.87645)
FeMn-89Hua-modified.tdb	1411.01	BCC_A2 (x(Mn) 1) + FCC_4SL (x(Mn) 1) + FCC_A1 (x(Mn) 1)
FeMn-89Hua-modified.tdb	973.16	FCC_4SL (x(Mn) 0.60592) + CUB_A13 (x(Mn) 0.68076) + CBCC_A12 (x(Mn) 0.68951)
FeMn-89Hua-modified.tdb	522.54	BCC_A2 (x(Mn) 0.03346) + FCC_4SL (x(Mn) 0.43448) + CBCC_A12 (x(Mn) 0.6585)
FeMn-89Lee.tdb	1748.48	BCC_A2 (x(Mn) 0.09057) + FCC_A1 (x(Mn) 0.09231) + LIQUID (x(Mn) 0.11934)
FeMn-89Lee.tdb	1508.23	FCC_A1 (x(Mn) 0.86234) + LIQUID (x(Mn) 0.87076) + BCC_A2 (x(Mn) 0.87137)
FeMn-89Lee.tdb	967.25	FCC_A1 (x(Mn) 0.58401) + CUB_A13 (x(Mn) 0.66381) + CBCC_A12 (x(Mn) 0.66961)
FeMn-89Lee.tdb	306.61	BCC_A2 (x(Mn) 3.300e-4) + FCC_A1 (x(Mn) 0.57049) + CBCC_A12 (x(Mn) 0.77161)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull FeMn-04Wit · CALPHAD hull FeMn-19Big-3g · CALPHAD hull FeMn-87Hua · CALPHAD hull FeMn-89Hua-LB · CALPHAD hull FeMn-89Hua-modified · CALPHAD hull FeMn-89Lee

Invariant reactions (literature)

Invariant reactions reported in the literature for the Fe–Mn system (22)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
1748.5	peritectic: liquid + bcc-A2 -> fcc-A1	bcc-A2: Mn 0.1; fcc-A1: Mn 0.102; liquid: Mn 0.139	model	[1] Witusiewicz 2004	Table 2, p. 3, row 10 report
1747	peritectic: liquid + bcc-A2 -> fcc-A1	bcc-A2: Mn 0.1; fcc-A1: Mn 0.101; liquid: Mn 0.129	model	[1] Witusiewicz 2004 cites ref. 1989Hua	Table 2, p. 3, row 9 report
1747	peritectic: liquid + bcc-A2 -> fcc-A1	bcc-A2: Mn 0.096; fcc-A1: Mn 0.102; liquid: Mn 0.13	experimental	[1] Witusiewicz 2004 cites Hellawell 1956	Table 2, p. 3, row 7 report
1746.8	peritectic: Liquid + bcc-A2 -> fcc-A1	L: Mn 0.1; bcc-A2: Mn 0.129; fcc-A1: Mn 0.129	model	[2] (ed.) 1998	Table I, p. 215, row 3 report
1746	peritectic: liquid + bcc-A2 -> fcc-A1	bcc-A2: Mn 0.101; fcc-A1: Mn 0.102; liquid: Mn 0.13	model	[1] Witusiewicz 2004 cites Huang 1987	Table 2, p. 3, row 8 report
1509.6	peritectic: liquid + bcc-A2 -> fcc-A1	bcc-A2: Mn 0.878; fcc-A1: Mn 0.868; liquid: Mn 0.877	model	[1] Witusiewicz 2004	Table 2, p. 3, row 14 report
1508	peritectic: liquid + bcc-A2 -> fcc-A1	bcc-A2: Mn 0.912; fcc-A1: Mn 0.903; liquid: Mn 0.909	model	[1] Witusiewicz 2004 cites Huang 1987	Table 2, p. 3, row 12 report
1507.2	peritectic: Liquid + bcc-A2 -> fcc-A1	L: Mn 0.867; bcc-A2: Mn 0.877; fcc-A1: Mn 0.875	model	[2] (ed.) 1998	Table I, p. 215, row 4 report
1507	peritectic: liquid + bcc-A2 -> fcc-A1	bcc-A2: Mn 0.87; fcc-A1: Mn 0.864; liquid: Mn 0.867	experimental	[1] Witusiewicz 2004 cites Hellawell 1956	Table 2, p. 3, row 11 report
1507	peritectic: liquid + bcc-A2 -> fcc-A1	bcc-A2: Mn 0.877; fcc-A1: Mn 0.875; liquid: Mn 0.867	model	[1] Witusiewicz 2004 cites ref. 1989Hua	Table 2, p. 3, row 13 report
1433.2	congruent transformation: fcc-A1 -> cub-A13	fcc-A1: Mn 0.854; cub-A13: Mn 0.854	model	[1] Witusiewicz 2004	Table 2, p. 3, row 18 report
1429	congruent transformation: fcc-A1 -> cub-A13	fcc-A1: Mn 0.87; cub-A13: Mn 0.87	experimental	[1] Witusiewicz 2004 cites Hellawell 1956	Table 2, p. 3, row 15 report
1429	congruent transformation: fcc-A1 -> cub-A13	fcc-A1: Mn 0.864; cub-A13: Mn 0.864	model	[1] Witusiewicz 2004 cites ref. 1989Hua	Table 2, p. 3, row 17 report
1429	congruent transformation: fcc-A1 -> cub-A13	fcc-A1: Mn 0.863; cub-A13: Mn 0.863	model	[1] Witusiewicz 2004 cites Huang 1987	Table 2, p. 3, row 16 report
973.5	eutectoid: cub-A13 -> fcc-A1 + bcc-A12	cub-A13: Mn 0.67; fcc-A1: Mn 0.592; bcc-A12: Mn 0.679	model	[1] Witusiewicz 2004	Table 2, p. 3, row 4 report
973.2	eutectoid: cub-A13 -> fcc-A1 + cbcc-A12	cub-A13: Mn 0.681; fcc-A1: Mn 0.606; cbcc-A12: Mn 0.69	model	[2] (ed.) 1998	Table I, p. 215, row 1 report
973	eutectoid: cub-A13 -> fcc-A1 + bcc-A12	cub-A13: Mn 0.701; fcc-A1: Mn 0.59; bcc-A12: Mn 0.703	model	[1] Witusiewicz 2004 cites Huang 1987	Table 2, p. 3, row 2 report
973	eutectoid: cub-A13 -> fcc-A1 + bcc-A12	cub-A13: Mn 0.681; fcc-A1: Mn 0.606; bcc-A12: Mn 0.69	model	[1] Witusiewicz 2004 cites ref. 1989Hua	Table 2, p. 3, row 3 report
973	eutectoid: cub-A13 -> fcc-A1 + bcc-A12	cub-A13: Mn 0.66; fcc-A1: Mn 0.62; bcc-A12: Mn 0.68	experimental	[1] Witusiewicz 2004 cites Hellawell 1956	Table 2, p. 3, row 1 report
528	eutectoid: fcc-A1 -> bcc-A2 + bcc-A12	fcc-A1: Mn 0.431; bcc-A2: Mn 0.022; bcc-A12: Mn 0.647	model	[1] Witusiewicz 2004	Table 2, p. 3, row 6 report
521.3	eutectoid: fcc-A1 -> bcc-A2 + cbcc-A12	fcc-A1: Mn 0.436; bcc-A2: Mn 0.033; cbcc-A12: Mn 0.659	model	[2] (ed.) 1998	Table I, p. 215, row 2 report
521	eutectoid: fcc-A1 -> bcc-A2 + bcc-A12	fcc-A1: Mn 0.436; bcc-A2: Mn 0.033; bcc-A12: Mn 0.659	model	[1] Witusiewicz 2004 cites ref. 1989Hua	Table 2, p. 3, row 5 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, Fe–Mn system (6)
Phase	Compound	Value	T (K)	Class	OQMD DFT (kJ/mol-atom)	Source	Location	Quote
C14 Laves FeMn2		18.636 kJ/mol-atom	0	DFT		[3] Zheng 2022	Table 4, p. 6, row 11 report
C14 Laves FeMn2	FeMn2	18.653 kJ/mol-atom	298.15	model	14.765 (oqmd-1449617)	[3] Zheng 2022	Table 4, p. 6, row 12 report
C14 Laves MnFe2		21.311 kJ/mol-atom	0	DFT		[3] Zheng 2022	Table 4, p. 6, row 13 report
C14 Laves MnFe2	Fe2Mn	25.409 kJ/mol-atom	298.15	model	16.64 (oqmd-1449732)	[3] Zheng 2022	Table 4, p. 6, row 14 report
fee		-2 kJ/mol (basis unstated)	1443	experimental		[4] Huang 1991 cites ref. 1	p. 4 report	For a SO-50 alloy and with the same structure of pure elements as reference give the following enthalpy of formation of the Fe-Mn states, the experiments alloy (1): -1 kJ/mol for liquid at 1873 K, -2 kJ/mol for fee at 1443 K; of the Fe-V alloy (2): -8.6 kJ/mol for liquid at 1873 K, -5.3 kJ/mol for bee at 1623 K.
liquid		-1 kJ/mol (basis unstated)	1873	experimental		[4] Huang 1991 cites ref. 1	p. 4 report	For a SO-50 alloy and with the same structure of pure elements as reference give the following enthalpy of formation of the Fe-Mn states, the experiments alloy (1): -1 kJ/mol for liquid at 1873 K, -2 kJ/mol for fee at 1443 K; of the Fe-V alloy (2): -8.6 kJ/mol for liquid at 1873 K, -5.3 kJ/mol for bee at 1623 K.

Other properties

Mixing / partial (3)

Mixing / partial, Fe–Mn system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Enthalpy of mixing printed: ΔmixH^SQS	-3.952 kJ/mol-atom		fcc alloy: Fe 0.5, Mn 0.5	DFT	[5] Bracq 2021	Table 1, p. 4, row 8 report
Enthalpy of mixing printed: heat of mixing	-4900 J/m01	1400		experimental	[6] Huang 1989 cites ref. 24	p. 2 report	In the 7 phase, a negative heat of mixing at 1400 K with a minimum of -4900 J/m01 was reported by Kendall et al. (24).
Enthalpy of mixing printed: heat of mixing	-3 kJ/mol-atom	1443		experimental	[6] Huang 1989 cites ref. 4	p. 2 report	Recently, Kubitx et al. (4) determined the heat of mixing at 1443. 1073 and 873 K with a minimum of -3000 J/m01 at 1443 K.

Sources

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

V.T. Witusiewicz, F. Sommer, E.J. Mittemeijer, Reevaluation of the Fe-Mn Phase Diagram, Journal of Phase Equilibria & Diffusion 25, 346-354 (2004). doi:10.1361/15477030420115
I. Ansara, A. T. Dinsdale, M. H. Rand (eds.), COST 507: Thermochemical database for light metal alloys, Volume 2, EUR 18499 EN, Office for Official Publications of the European Communities, Luxembourg (1998), ISBN 92-828-3902-8.
Weisen Zheng, Wei Song, Tong Wu, Jingya Wang, Yanlin He, Xiao-Gang Lu, Experimental investigation and thermodynamic modeling of the ternary Ti–Fe–Mn system for hydrogen storage applications, Journal of Alloys and Compounds 891, 161957 (2022). doi:10.1016/j.jallcom.2021.161957
Weiming Huang, A Thermodynamic Analysis of the Mn-V And Fe-Mn-V Systems, Calphad 15, 195-208 (1991). doi:10.1016/0364-5916(91)90018-f
Guillaume Bracq, Jean-Claude Crivello, Mathilde Laurent-Brocq, Jean-Marc Joubert, Ivan Guillot, What is the Enthalpy Contribution to the Stabilization of the Co–Cr–Fe–Mn–Ni Faced-centered Cubic Solid Solution?, J. Phase Equilib. Diffus. 42, 561-570 (2021). doi:10.1007/s11669-021-00922-9
Weiming Huang, An assessment of the Fe-Mn system, Calphad 13, 243-252 (1989). doi:10.1016/0364-5916(89)90004-7

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-Diagrams: calculated binary phase diagrams (version 2026.10), Zenodo (2026). doi:10.5281/zenodo.23735859
R. Arróyave, J. Saal, D. Shin, ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD) (version 2026.10), Zenodo (2026). doi:10.5281/zenodo.23735891
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_phase_diagrams_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Diagrams: calculated binary phase diagrams}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735859},
  url       = {https://doi.org/10.5281/zenodo.23735859}
}

@misc{orchid_hulls_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD)}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735891},
  url       = {https://doi.org/10.5281/zenodo.23735891}
}

@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}
}