Cr–Fe system

55 accepted literature values from 4 paper(s) (experimental 8, model 8, DFT 37, unspecified 2); 7 calculated phase diagram(s). 17 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	8
DFT	37
unspecified	2

Accepted values by property group
Property group	Values
invariant reaction	2
phase transition	14
formation	13
mixing / partial	1
crystal structure	25

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
CrFe-11Xio.tdb	W. Xiong, P. Hedstrom, M. Selleby, J. Odqvist, M. Thuvander, Q. Chen, Calphad, 35, 355-66(2011). doi:10.1016/j.calphad.2011.05.002	`c6bdc1ced82c0a3100b8bec5986b6ac6e0c92156c2d98346def6ace07bda28e7`	viewer · TDB · JSON
CrFe-18Jac.tdb	A. Jacob, E. Povoden-Karadeniz, E. Kozeschnik, Calphad, 60, 16-28(2018). doi:10.1016/j.calphad.2017.10.002	`97353b426c2d299a2d1b73107eb46563ba26c48fde727232f57b1930b5d512b8`	viewer · TDB · JSON
CrFe-20Ost.tdb	M. Ostrowska, G. Cacciamani, J. Alloys Compd, 845, 156122(2020). doi:10.1016/j.jallcom.2020.156122	`c009125a792bbcf5101b4ed48c62f95d5c72499ab184c3a5bbe8e400bc45f9b0`	viewer · TDB · JSON
CrFe-21Laf.tdb	P. Lafaye, C. Toffolon-Masclet, J.-C. Crivello, J.-M. Joubert, J. Nucl. Mater., 544, 152692(2021). doi:10.1016/j.jnucmat.2020.152692	`a466cbb58ce8fff8fdf17e733aca444159849b99ad58a98cf499bdf444bf95ac`	viewer · TDB · JSON
CrFe-23Zha.tdb	Z.-T. Zhang, J.-J. Wang, W. Liu, X.-G. Lu, J. Iron Steel Res. Int., 30, 660-76(2023). doi:10.1007/s42243-022-00846-9	`093591c8faaf3d7d245f74994a48296529fb11f8e3413b4e43127195da675cd6`	viewer · TDB · JSON
CrFe-82Her.tdb	S. Hertzman, B. Sundman, Calphad, 6, 67-80(1982). doi:10.1016/0364-5916(82)90018-9	`a426ac8fa1a94471f75c7e0d4516289611e7f9daa425b1e4f3994192ab647c6f`	viewer · TDB · JSON
CrFe-87And-LB.tdb	J.-O. Andersson, B. Sundman, Calphad, 11, 83-92(1987). doi:10.1016/0364-5916(87)90021-6	`aee44c07511fe31fafc1820fb834ac00d83c33694bee14d12683186b365a4128`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
CrFe-11Xio.tdb	790.18	BCC_A2 (x(Fe) 0.14869) + SIGMA_D8B (x(Fe) 0.50785) + BCC_A2#2 (x(Fe) 0.83725)
CrFe-18Jac.tdb	788.4	BCC_A2 (x(Fe) 0.15308) + SIGMA_D8B (x(Fe) 0.50753) + BCC_A2#2 (x(Fe) 0.8481)
CrFe-20Ost.tdb	770.18	BCC_A2 (x(Fe) 0.1415) + SIGMA_D8B (x(Fe) 0.52761) + BCC_A2#2 (x(Fe) 0.85309)
CrFe-21Laf.tdb	773.36	BCC_A2 (x(Fe) 0.13799) + SIGMA_D8B (x(Fe) 0.48378) + BCC_A2#2 (x(Fe) 0.88873)
CrFe-23Zha.tdb	774.65	BCC_A2 (x(Fe) 0.13168) + SIGMA_D8B (x(Fe) 0.50602) + BCC_A2#2 (x(Fe) 0.84113)
CrFe-82Her.tdb	704.29	BCC_A2 (x(Fe) 0.07253) + SIGMA_D8B (x(Fe) 0.5328) + BCC_A2#2 (x(Fe) 0.89877)
CrFe-87And-LB.tdb	1104.5	SIGMA_OLD (x(Fe) 0.54765) + SIGMA_D8B (x(Fe) 0.55233) + BCC_A2 (x(Fe) 0.55449)
CrFe-87And-LB.tdb	1043.66	SIGMA_OLD (x(Fe) 0.56336) + SIGMA_D8B (x(Fe) 0.5642) + BCC_A2 (x(Fe) 0.65531)
CrFe-87And-LB.tdb	788.69	SIGMA_OLD (x(Fe) 0.48794) + SIGMA_D8B (x(Fe) 0.49127) + BCC_A2 (x(Fe) 0.8066)
CrFe-87And-LB.tdb	786.21	BCC_A2 (x(Fe) 0.15419) + SIGMA_OLD (x(Fe) 0.48601) + SIGMA_D8B (x(Fe) 0.48962)
CrFe-87And-LB.tdb	784.91	BCC_A2 (x(Fe) 0.15329) + SIGMA_D8B (x(Fe) 0.48955) + BCC_A2#2 (x(Fe) 0.80809)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull CrFe-11Xio · CALPHAD hull CrFe-18Jac · CALPHAD hull CrFe-20Ost · CALPHAD hull CrFe-21Laf · CALPHAD hull CrFe-82Her · CALPHAD hull CrFe-87And-LB

Invariant reactions (literature)

Invariant reactions reported in the literature for the Cr–Fe system (2)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location	Quote
788	eutectoid: Eutectoid: σ -> BCC + BCC'	σ: Fe 0.51; BCC: Fe 0.85; BCC': Fe 0.15	model	[1] Jacob 2018	Table 4, p. 10, row 9 report
783	eutectoid: Eutectoid: σ -> BCC + BCC'	σ: Fe 0.51; BCC: Fe 0.857; BCC': Fe 0.12	experimental	[1] Jacob 2018 cites Dubiel 1987	Table 4, p. 10, row 10 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, Cr–Fe system (13)
Phase	Value	Class	Source	Location
σ	4.62 kJ/mol-atom	DFT	[1] Jacob 2018	Table 2, p. 5, row 4 report
σ	4.94 kJ/mol-atom	DFT	[1] Jacob 2018	Table 2, p. 5, row 4 report
σ	5.62 kJ/mol-atom	DFT	[1] Jacob 2018	Table 2, p. 5, row 3 report
σ	5.69 kJ/mol-atom	DFT	[1] Jacob 2018	Table 2, p. 5, row 3 report
σ	12.35 kJ/mol-atom	DFT	[1] Jacob 2018	Table 2, p. 5, row 5 report
σ	13.2 kJ/mol-atom	DFT	[1] Jacob 2018 cites Sluiter 2006 doi	Table 2, p. 5, row 1 report
σ	13.52 kJ/mol-atom	DFT	[1] Jacob 2018	Table 2, p. 5, row 5 report
σ	14.04 kJ/mol-atom	DFT	[1] Jacob 2018	Table 2, p. 5, row 2 report
σ	14.11 kJ/mol-atom	DFT	[1] Jacob 2018	Table 2, p. 5, row 2 report
σ	14.89 kJ/mol-atom	DFT	[1] Jacob 2018	Table 2, p. 5, row 6 report
σ	15.27 kJ/mol-atom	DFT	[1] Jacob 2018	Table 2, p. 5, row 7 report
σ	18.4 kJ/mol-atom	DFT	[1] Jacob 2018	Table 2, p. 5, row 7 report
σ	19.74 kJ/mol-atom	DFT	[1] Jacob 2018	Table 2, p. 5, row 6 report

Other properties

Phase transition (14)

Phase transition, Cr–Fe system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	1007 K	1007	magnetic: 5 alloy: Cr 0.1305, Fe 0.8695	experimental	[2] Xiong 2011	Table 1, p. 2, row 5 report
Phase transition	1030 K	1030	magnetic: 4 alloy: Cr 0.09921, Fe 0.90079	experimental	[2] Xiong 2011	Table 1, p. 2, row 4 report
Phase transition	1046 K	1046	magnetic: 3 alloy: Cr 0.06767, Fe 0.93233	experimental	[2] Xiong 2011	Table 1, p. 2, row 3 report
Phase transition	1051 K	1051	magnetic: 1 alloy: Cr 0.01159, Fe 0.98841	experimental	[2] Xiong 2011	Table 1, p. 2, row 1 report
Phase transition	1054 K	1054	magnetic: 2 alloy: Cr 0.03365, Fe 0.96635	experimental	[2] Xiong 2011	Table 1, p. 2, row 2 report
Phase transition	1093 K	1093	congruent transformation: C: BCC -> σ BCC: Fe 0.53; σ: Fe 0.53	experimental	[1] Jacob 2018 cites Cook 1943	Table 4, p. 10, row 7 report
Phase transition	1096 K	1096	congruent transformation: C: BCC -> σ BCC: Fe 0.54; σ: Fe 0.54	model	[1] Jacob 2018	Table 4, p. 10, row 6 report
Phase transition	1103 K	1103	congruent transformation: C: BCC -> σ BCC: Fe 0.53; σ: Fe 0.53	model	[1] Jacob 2018 cites Xiong 2010 doi	Table 4, p. 10, row 8 report
Phase transition	1119 K	1119	congruent transformation: C: FCC -> BCC FCC: Fe 0.93; BCC: Fe 0.93	model	[1] Jacob 2018 cites Xiong 2010 doi	Table 4, p. 10, row 5 report
Phase transition	1126 K	1126	bcc + fcc	model	[3] Andersson 1987	p. 5 report	A reasonable compromise was obtained with a subregular parameter of 1410 J/mol resulting in an almost horizontal slope at high temperature and a minimum temperature of about 1126 K.
Phase transition	1126 K	1126	congruent transformation: C: FCC -> BCC FCC: Fe 0.927; BCC: Fe 0.927	model	[1] Jacob 2018	Table 4, p. 10, row 4 report
Phase transition	1782 K	1782	congruent melting: C: L -> BCC L: Fe 0.79; BCC: Fe 0.79	model	[1] Jacob 2018	Table 4, p. 10, row 1 report
Phase transition	1783 K	1783	congruent melting: C: L -> BCC L: Fe 0.79; BCC: Fe 0.79	model	[1] Jacob 2018 cites Xiong 2010 doi	Table 4, p. 10, row 3 report
Phase transition	1783 K	1783	congruent melting: C: L -> BCC L: Fe 0.79; BCC: Fe 0.79	experimental	[1] Jacob 2018 cites Adcock 1931	Table 4, p. 10, row 2 report

Mixing / partial (1)

Mixing / partial, Cr–Fe system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Enthalpy of mixing printed: ΔmixH^SQS	-9.782 kJ/mol-atom		fcc alloy: Cr 0.5, Fe 0.5	DFT	[4] Bracq 2021	Table 1, p. 4, row 5 report

Crystal structure (25)

Crystal structure, Cr–Fe system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a printed: a (Ferromagnetic)	8.64 Å	0	σ alloy: Fe 0.466667	DFT	[1] Jacob 2018	Table 2, p. 5, row 4 report
Lattice a printed: a (Non magnetic)	8.42 Å	0	σ alloy: Fe 0.866667	DFT	[1] Jacob 2018	Table 2, p. 5, row 7 report
Lattice a printed: a (Ferromagnetic)	8.44 Å	0	σ alloy: Fe 0.866667	DFT	[1] Jacob 2018	Table 2, p. 5, row 7 report
Lattice a printed: a (Ferromagnetic)	8.66 Å	0	σ alloy: Fe 0.666667	DFT	[1] Jacob 2018	Table 2, p. 5, row 6 report
Lattice a printed: a (Non magnetic)	8.48 Å	0	σ alloy: Fe 0.666667	DFT	[1] Jacob 2018	Table 2, p. 5, row 6 report
Lattice a printed: a (Ferromagnetic)	8.6 Å	0	σ alloy: Fe 0.533333	DFT	[1] Jacob 2018	Table 2, p. 5, row 5 report
Lattice a printed: a (Non magnetic)	8.43 Å	0	σ alloy: Fe 0.533333	DFT	[1] Jacob 2018	Table 2, p. 5, row 5 report
Lattice a printed: a (Non magnetic)	9.14 Å	0	σ alloy: Fe 0.333333	DFT	[1] Jacob 2018	Table 2, p. 5, row 3 report
Lattice a printed: a (Ferromagnetic)	8.69 Å	0	σ alloy: Fe 0.333333	DFT	[1] Jacob 2018	Table 2, p. 5, row 3 report
Lattice a printed: a (Non magnetic)	8.71 Å	0	σ alloy: Fe 0.133333	DFT	[1] Jacob 2018	Table 2, p. 5, row 2 report
Lattice a printed: a (Ferromagnetic)	8.735 Å	0	σ alloy: Fe 0.133333	DFT	[1] Jacob 2018	Table 2, p. 5, row 2 report
Lattice a	8.7961 Å	298.15	σ-CrFe alloy: Fe 0.5	unspecified	[1] Jacob 2018 cites Yakel 1983 doi	Table 1, p. 3, row 3 report
Lattice c printed: c (Non magnetic)	4.44 Å	0	σ alloy: Fe 0.466667	DFT	[1] Jacob 2018	Table 2, p. 5, row 4 report
Lattice c printed: c (Ferromagnetic)	4.39 Å	0	σ alloy: Fe 0.466667	DFT	[1] Jacob 2018	Table 2, p. 5, row 4 report
Lattice c printed: c (Non magnetic)	4.44 Å	0	σ alloy: Fe 0.866667	DFT	[1] Jacob 2018	Table 2, p. 5, row 7 report
Lattice c printed: c (Ferromagnetic)	4.54 Å	0	σ alloy: Fe 0.866667	DFT	[1] Jacob 2018	Table 2, p. 5, row 7 report
Lattice c printed: c (Ferromagnetic)	4.58 Å	0	σ alloy: Fe 0.666667	DFT	[1] Jacob 2018	Table 2, p. 5, row 6 report
Lattice c printed: c (Non magnetic)	4.51 Å	0	σ alloy: Fe 0.666667	DFT	[1] Jacob 2018	Table 2, p. 5, row 6 report
Lattice c printed: c (Ferromagnetic)	4.58 Å	0	σ alloy: Fe 0.533333	DFT	[1] Jacob 2018	Table 2, p. 5, row 5 report
Lattice c printed: c (Non magnetic)	4.62 Å	0	σ alloy: Fe 0.533333	DFT	[1] Jacob 2018	Table 2, p. 5, row 5 report
Lattice c printed: c (Non magnetic)	6.04 Å	0	σ alloy: Fe 0.333333	DFT	[1] Jacob 2018	Table 2, p. 5, row 3 report
Lattice c printed: c (Ferromagnetic)	4.43 Å	0	σ alloy: Fe 0.333333	DFT	[1] Jacob 2018	Table 2, p. 5, row 3 report
Lattice c printed: c (Non magnetic)	4.54 Å	0	σ alloy: Fe 0.133333	DFT	[1] Jacob 2018	Table 2, p. 5, row 2 report
Lattice c printed: c (Ferromagnetic)	4.55 Å	0	σ alloy: Fe 0.133333	DFT	[1] Jacob 2018	Table 2, p. 5, row 2 report
Lattice c	4.5605 Å	298.15	σ-CrFe alloy: Fe 0.5	unspecified	[1] Jacob 2018 cites Yakel 1983 doi	Table 1, p. 3, row 3 report

Sources

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

Aurélie Jacob, Erwin Povoden-Karadeniz, Ernst Kozeschnik, Revised thermodynamic description of the Fe-Cr system based on an improved sublattice model of the σ phase, Calphad 60, 16-28 (2018). doi:10.1016/j.calphad.2017.10.002
Wei Xiong, Peter Hedström, Malin Selleby, Joakim Odqvist, Mattias Thuvander, Qing Chen, An improved thermodynamic modeling of the Fe–Cr system down to zero kelvin coupled with key experiments, Calphad 35, 355-366 (2011). doi:10.1016/j.calphad.2011.05.002
Jan-Olof Andersson, Bo Sundman, Thermodynamic properties of the CrFe system, Calphad 11, 83-92 (1987). doi:10.1016/0364-5916(87)90021-6
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

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}
}