Re system

41 accepted literature values from 7 paper(s) (experimental 6, model 13, DFT 22); 0 calculated phase diagram(s).

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Accepted values by evidence class
Evidence class	Values
experimental	6
model	13
DFT	22

Accepted values by property group
Property group	Values
formation	10
heat capacity / entropy / enthalpy	1
activity / EMF / Gibbs energy	8
crystal structure	22

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, Re system (9)
Phase	Value	T (K)	Class	Source	Location
(χ)	4.423 kJ/mol-atom	298.15	model	[1] Liu 2013	Table 3, p. 5, row 3 report
\sigma	0 kJ/mol (basis unstated)	0	DFT	[2] Mathieu 2013 cites Crivello 2013	Table 4, p. 5, row 32 report
\sigma	9.33 kJ/mol (basis unstated)	0	DFT	[2] Mathieu 2013 cites Crivello 2013	Table 4, p. 5, row 32 report
sigma ReReReReRe	9.6 kJ/mol-atom	0	DFT	[3] Palumbo 2010	Table 1, p. 4, row 32 report
σ	9.88 kJ/mol (basis unstated)	0	DFT	[4] Yang 2010	Table 4, p. 4, row 4 report
σ: Re10(Mo,Re)4(Mo,Re)16	9.88 kJ/mol (basis unstated)	0	DFT	[4] Yang 2010	Table 4, p. 4, row 4 report
χ	4.9 kJ/mol (basis unstated)	0	DFT	[2] Mathieu 2013 cites Crivello 2013	Table 5, p. 5, row 16 report
χ	5.48 kJ/mol (basis unstated)	0	DFT	[4] Yang 2010	Table 4, p. 4, row 8 report
χ: (Mo,Re)10(Mo,Re)24Re24	5.48 kJ/mol (basis unstated)	0	DFT	[4] Yang 2010	Table 4, p. 4, row 8 report

Other properties

Formation (1)

Formation, Re system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Entropy of formation printed: ΔfS	0.439 J/mol-atom/K	298.15	(χ) alloy: Re 1	model	[1] Liu 2013	Table 3, p. 5, row 3 report

Heat capacity / entropy / enthalpy (1)

Heat capacity / entropy / enthalpy, Re system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Entropy printed: ΔfS	25.456 J/mol-atom/K	298.15	(χ) alloy: Re 1	model	[1] Liu 2013	Table 3, p. 5, row 3 report

Activity / EMF / Gibbs energy (8)

Activity / EMF / Gibbs energy, Re system
Property	Phases / composition	Class	Source	Location
gibbs energy contribution printed: magΔG_i^φ/SER(0 K)	BCC_A2 alloy: Re 1	model	[5] Santos 2024 cites Dinsdale 1991 doi	Table 2, p. 8, row 67 report
gibbs energy contribution printed: magΔG_i^φ/SER(0 K)	BCC_A2 alloy: Re 1	model	[5] Santos 2024 cites Dinsdale 1991 doi	Table 2, p. 8, row 67 report
gibbs energy contribution printed: magΔG_i^φ/SER(0 K)	FCC_A1 alloy: Re 1	model	[5] Santos 2024 cites Dinsdale 1991 doi	Table 2, p. 8, row 61 report
gibbs energy contribution printed: magΔG_i^φ/SER(0 K)	FCC_A1 alloy: Re 1	model	[5] Santos 2024 cites Dinsdale 1991 doi	Table 2, p. 8, row 61 report
gibbs energy contribution printed: magΔG_i^φ/SER(0 K)	HCP_A3 alloy: Re 1	model	[5] Santos 2024 cites Dinsdale 1991 doi	Table 2, p. 8, row 73 report
gibbs energy contribution printed: magΔG_i^φ/SER(0 K)	HCP_A3 alloy: Re 1	model	[5] Santos 2024 cites Dinsdale 1991 doi	Table 2, p. 8, row 73 report
gibbs energy contribution printed: magΔG_i^φ/SER(0 K)	σ alloy: Re 1	model	[5] Santos 2024 cites Dinsdale 1991 doi	Table 2, p. 8, row 78 report
gibbs energy contribution printed: magΔG_i^φ/SER(0 K)	σ alloy: Re 1	model	[5] Santos 2024 cites Dinsdale 1991 doi	Table 2, p. 8, row 78 report

Crystal structure (22)

Crystal structure, Re system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	2.769 Å		Re	DFT	[6] Zacherl 2010	Table 1, p. 3, row 3 report
Lattice a	2.773 Å		Re	DFT	[7] Zacherl 2012	Table 1, p. 4, row 1 report
Lattice a	2.785 Å		Re	DFT	[7] Zacherl 2012 cites Wang 2004 doi	Table 1, p. 4, row 3 report
Lattice a	2.785 Å		Re	model	[6] Zacherl 2010 cites Wang 2004 doi	Table 1, p. 3, row 2 report
Lattice a	2.771 Å	0	Re (hcp) alloy: Re 1	DFT	[1] Liu 2013	Table 1, p. 4, row 1 report
Lattice a	2.785 Å	0	Re (hcp) alloy: Re 1	DFT	[1] Liu 2013 cites Wang 2004 doi	Table 1, p. 4, row 2 report
Lattice a	2.76 Å		Re (hcp) alloy: Re 1	experimental	[1] Liu 2013 cites Kittel 1995	Table 1, p. 4, row 3 report
Lattice a printed: a	9.552 Å	0	sigma ReReReReRe alloy: Re 1	DFT	[3] Palumbo 2010	Table 1, p. 4, row 32 report
Lattice a	2.76 Å	298.15	Re	experimental	[6] Zacherl 2010 cites Kittel 2005	Table 1, p. 3, row 1 report
Lattice a	2.76 Å	298.15	Re	experimental	[7] Zacherl 2012 cites Dinsdale 1991 doi	Table 1, p. 4, row 2 report
Lattice c	4.472 Å		Re	DFT	[6] Zacherl 2010	Table 1, p. 3, row 3 report
Lattice c	4.48 Å		Re	DFT	[7] Zacherl 2012	Table 1, p. 4, row 1 report
Lattice c	4.498 Å		Re	DFT	[7] Zacherl 2012 cites Wang 2004 doi	Table 1, p. 4, row 3 report
Lattice c	4.498 Å		Re	model	[6] Zacherl 2010 cites Wang 2004 doi	Table 1, p. 3, row 2 report
Lattice c printed: c	5.006 Å	0	sigma ReReReReRe alloy: Re 1	DFT	[3] Palumbo 2010	Table 1, p. 4, row 32 report
Lattice c	4.46 Å	298.15	Re	experimental	[6] Zacherl 2010 cites Kittel 2005	Table 1, p. 3, row 1 report
Lattice c	4.46 Å	298.15	Re	experimental	[7] Zacherl 2012 cites Dinsdale 1991 doi	Table 1, p. 4, row 2 report
Molar volume printed: V0	7.35 Å3/atom	0	hcp-Re	DFT	[7] Zacherl 2012 cites Steinle-Neumann 1999 doi	Table 2, p. 4, row 2 report
Molar volume printed: V0	7.47 Å3/atom	0	hcp-Re	DFT	[7] Zacherl 2012	Table 2, p. 4, row 1 report
lattice c a	1.613 not_printed	0	Re (hcp) alloy: Re 1	DFT	[1] Liu 2013	Table 1, p. 4, row 1 report
lattice c a	1.615 not_printed	0	Re (hcp) alloy: Re 1	DFT	[1] Liu 2013 cites Wang 2004 doi	Table 1, p. 4, row 2 report
lattice c a	1.62 not_printed		Re (hcp) alloy: Re 1	experimental	[1] Liu 2013 cites Kittel 1995	Table 1, p. 4, row 3 report

Sources

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

Xuan L. Liu, Chelsey Z. Hargather, Zi-Kui Liu, First-principles aided thermodynamic modeling of the Nb–Re system, Calphad 41, 119-127 (2013). doi:10.1016/j.calphad.2013.02.006
R. Mathieu, N. Dupin, J.-C. Crivello, K. Yaqoob, A. Breidi, J.-M. Fiorani et al., CALPHAD description of the Mo–Re system focused on the sigma phase modeling, Calphad 43, 18-31 (2013). doi:10.1016/j.calphad.2013.08.002
M. Palumbo, T. Abe, C. Kocer, H. Murakami, H. Onodera, Ab initio and thermodynamic study of the Cr–Re system, Calphad 34, 495-503 (2010). doi:10.1016/j.calphad.2010.09.003
Ying Yang, Chuan Zhang, Shuanglin Chen, Dane Morgan, Y. Austin Chang, First-principles calculation aided thermodynamic modeling of the Mo–Re system, Intermetallics 18, 574-581 (2010). doi:10.1016/j.intermet.2009.10.012
Júlio César Pereira dos Santos, Sean Griesemer, Nathalie Dupin, Ursula R. Kattner, Chuan Liu, Daniela Ivanova et al., Applying the Effective Bond Energy Formalism (EBEF) to Describe the Sigma (σ) Phase in the Co-Cr-Ni-Re System, J. Phase Equilib. Diffus. 45, 330-357 (2024). doi:10.1007/s11669-023-01079-3
C. Zacherl, J. Saal, Y. Wang, Z.K. Liu, First-principles calculations and thermodynamic modeling of the Re–Y system with extension to the Ni–Re–Y system, Intermetallics 18, 2412-2418 (2010). doi:10.1016/j.intermet.2010.08.032
Chelsey L. Zacherl, Shun-Li Shang, Arkapol Saengdeejing, Zi-Kui Liu, Phase stability and thermodynamic modeling of the Re–Ti system supplemented by first-principles calculations, Calphad 38, 71-80 (2012). doi:10.1016/j.calphad.2012.05.001

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}
}