# Re system

> Re system: 41 accepted literature values (crystal structure 22, formation 10, activity / EMF / Gibbs energy 8, heat capacity / entropy / enthalpy 1) and 0 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

HTML: https://data.orchid-project.org/systems/RE.html · Markdown: https://data.orchid-project.org/systems/RE.md

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

Data: [JSON](https://data.orchid-project.org/literature/systems/RE.json) · [CSV](https://data.orchid-project.org/systems/RE.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#RE) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/RE.html) · [Markdown](https://data.orchid-project.org/systems/RE.md)

Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| experimental | 6 |
| model | 13 |
| DFT | 22 |

Table: 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](https://data.orchid-project.org/literature/dft_parity.json).

Table: Enthalpies of formation, Re system (9)

| Phase | Compound | Value | T (K) | Class | MP DFT (kJ/mol-atom) | OQMD DFT (kJ/mol-atom) | Source | Location | Quote |
|---|---|---:|---:|---|---:|---:|---|---|---|
| (χ) |  | 4.423 kJ/mol-atom | 298.15 | model |  |  | [1] Liu 2013 | Table 3, p. 5, row 3; `ORC-DME4MEHYIB.58192d` |  |
| \\sigma |  | 0 kJ/mol (basis unstated) | 0 | DFT |  |  | [2] Mathieu 2013; _cites Crivello 2013_ | Table 4, p. 5, row 32; `ORC-ZPWVG4LPRK.afa9c4` |  |
| \\sigma |  | 9.33 kJ/mol (basis unstated) | 0 | DFT |  |  | [2] Mathieu 2013; _cites Crivello 2013_ | Table 4, p. 5, row 32; `ORC-ZPWVG4LPRK.64783e` |  |
| sigma ReReReReRe |  | 9.6 kJ/mol-atom | 0 | DFT |  |  | [3] Palumbo 2010 | Table 1, p. 4, row 32; `ORC-3SL7ENTGNY.4a82b7` |  |
| σ |  | 9.88 kJ/mol (basis unstated) | 0 | DFT |  |  | [4] Yang 2010 | Table 4, p. 4, row 4; `ORC-ZHH6V7NXR7.39f085` |  |
| 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; `ORC-ZHH6V7NXR7.f5011d` |  |
| χ |  | 4.9 kJ/mol (basis unstated) | 0 | DFT |  |  | [2] Mathieu 2013; _cites Crivello 2013_ | Table 5, p. 5, row 16; `ORC-MDTRSVPK3J` |  |
| χ |  | 5.48 kJ/mol (basis unstated) | 0 | DFT |  |  | [4] Yang 2010 | Table 4, p. 4, row 8; `ORC-ESZRSW7JMZ.62fc31` |  |
| χ: (Mo,Re)10(Mo,Re)24Re24 |  | 5.48 kJ/mol (basis unstated) | 0 | DFT |  |  | [4] Yang 2010 | Table 4, p. 4, row 8; `ORC-ESZRSW7JMZ.16cf6f` |  |

## Other properties

### Formation (1)

Table: 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; `ORC-DME4MEHYIB.72a7be` |  |

### Heat capacity / entropy / enthalpy (1)

Table: 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; `ORC-DME4MEHYIB.96f08d` |  |

### Activity / EMF / Gibbs energy (8)

Table: Activity / EMF / Gibbs energy, Re system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| gibbs energy contribution; _printed: magΔG_i^φ/SER(0 K)_ | 0 J/mol | 0 | BCC_A2; _alloy: Re 1_ | model | [5] Santos 2024; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 2, p. 8, row 67; `ORC-UL4OKJU2TF.1f96d9` |  |
| gibbs energy contribution; _printed: magΔG_i^φ/SER(0 K)_ | 0 J/mol | 0 | BCC_A2; _alloy: Re 1_ | model | [5] Santos 2024; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 2, p. 8, row 67; `ORC-UL4OKJU2TF.f069f1` |  |
| gibbs energy contribution; _printed: magΔG_i^φ/SER(0 K)_ | 0 J/mol | 0 | FCC_A1; _alloy: Re 1_ | model | [5] Santos 2024; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 2, p. 8, row 61; `ORC-4KUTAWURSF.82e830` |  |
| gibbs energy contribution; _printed: magΔG_i^φ/SER(0 K)_ | 0 J/mol | 0 | FCC_A1; _alloy: Re 1_ | model | [5] Santos 2024; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 2, p. 8, row 61; `ORC-4KUTAWURSF.b0c3c0` |  |
| gibbs energy contribution; _printed: magΔG_i^φ/SER(0 K)_ | 0 J/mol | 0 | HCP_A3; _alloy: Re 1_ | model | [5] Santos 2024; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 2, p. 8, row 73; `ORC-P5Z2DIPDXA.89697b` |  |
| gibbs energy contribution; _printed: magΔG_i^φ/SER(0 K)_ | 0 J/mol | 0 | HCP_A3; _alloy: Re 1_ | model | [5] Santos 2024; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 2, p. 8, row 73; `ORC-P5Z2DIPDXA.b2c657` |  |
| gibbs energy contribution; _printed: magΔG_i^φ/SER(0 K)_ | 0 J/mol | 0 | σ; _alloy: Re 1_ | model | [5] Santos 2024; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 2, p. 8, row 78; `ORC-FIH56J6SQW.1cdb94` |  |
| gibbs energy contribution; _printed: magΔG_i^φ/SER(0 K)_ | 0 J/mol | 0 | σ; _alloy: Re 1_ | model | [5] Santos 2024; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 2, p. 8, row 78; `ORC-FIH56J6SQW.96a7c8` |  |

### Crystal structure (22)

Table: Crystal structure, Re system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Lattice a | 2.769 Å |  | Re | DFT | [6] Zacherl 2010 | Table 1, p. 3, row 3; `ORC-63AKCY4RAJ.f3c052` |  |
| Lattice a | 2.773 Å |  | Re | DFT | [7] Zacherl 2012 | Table 1, p. 4, row 1; `ORC-FML7LUIPV5.018625` |  |
| Lattice a | 2.785 Å |  | Re | DFT | [7] Zacherl 2012; _cites Wang 2004_ [doi](https://doi.org/10.1016/j.actamat.2004.02.014) | Table 1, p. 4, row 3; `ORC-IQURKT4XFD.65ab0d` |  |
| Lattice a | 2.785 Å |  | Re | model | [6] Zacherl 2010; _cites Wang 2004_ [doi](https://doi.org/10.1016/j.actamat.2004.02.014) | Table 1, p. 3, row 2; `ORC-LAXMCER4J5.db6b7f` |  |
| Lattice a | 2.771 Å | 0 | Re (hcp); _alloy: Re 1_ | DFT | [1] Liu 2013 | Table 1, p. 4, row 1; `ORC-2POQD7MJH2.3e67c8` |  |
| Lattice a | 2.785 Å | 0 | Re (hcp); _alloy: Re 1_ | DFT | [1] Liu 2013; _cites Wang 2004_ [doi](https://doi.org/10.1016/j.actamat.2004.02.014) | Table 1, p. 4, row 2; `ORC-6X4UVYOPO4.83c62b` |  |
| Lattice a | 2.76 Å |  | Re (hcp); _alloy: Re 1_ | experimental | [1] Liu 2013; _cites Kittel 1995_ | Table 1, p. 4, row 3; `ORC-YW3CCOAGLR.ef6f0d` |  |
| Lattice a; _printed: a_ | 9.552 Å | 0 | sigma ReReReReRe; _alloy: Re 1_ | DFT | [3] Palumbo 2010 | Table 1, p. 4, row 32; `ORC-F4M4O6VSFY.22cf4e` |  |
| Lattice a | 2.76 Å | 298.15 | Re | experimental | [6] Zacherl 2010; _cites Kittel 2005_ | Table 1, p. 3, row 1; `ORC-GR5M4R6Y7V.083179` |  |
| Lattice a | 2.76 Å | 298.15 | Re | experimental | [7] Zacherl 2012; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 1, p. 4, row 2; `ORC-V5HFCBCAL5.0059c9` |  |
| Lattice c | 4.472 Å |  | Re | DFT | [6] Zacherl 2010 | Table 1, p. 3, row 3; `ORC-63AKCY4RAJ.b24c34` |  |
| Lattice c | 4.48 Å |  | Re | DFT | [7] Zacherl 2012 | Table 1, p. 4, row 1; `ORC-FML7LUIPV5.033b94` |  |
| Lattice c | 4.498 Å |  | Re | DFT | [7] Zacherl 2012; _cites Wang 2004_ [doi](https://doi.org/10.1016/j.actamat.2004.02.014) | Table 1, p. 4, row 3; `ORC-IQURKT4XFD.5121aa` |  |
| Lattice c | 4.498 Å |  | Re | model | [6] Zacherl 2010; _cites Wang 2004_ [doi](https://doi.org/10.1016/j.actamat.2004.02.014) | Table 1, p. 3, row 2; `ORC-LAXMCER4J5.9d374a` |  |
| Lattice c; _printed: c_ | 5.006 Å | 0 | sigma ReReReReRe; _alloy: Re 1_ | DFT | [3] Palumbo 2010 | Table 1, p. 4, row 32; `ORC-F4M4O6VSFY.954210` |  |
| Lattice c | 4.46 Å | 298.15 | Re | experimental | [6] Zacherl 2010; _cites Kittel 2005_ | Table 1, p. 3, row 1; `ORC-GR5M4R6Y7V.5d1200` |  |
| Lattice c | 4.46 Å | 298.15 | Re | experimental | [7] Zacherl 2012; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 1, p. 4, row 2; `ORC-V5HFCBCAL5.295d74` |  |
| Molar volume; _printed: V0_ | 7.35 Å3/atom | 0 | hcp-Re | DFT | [7] Zacherl 2012; _cites Steinle-Neumann 1999_ [doi](https://doi.org/10.1103/physrevb.60.791) | Table 2, p. 4, row 2; `ORC-4G5H5IEPZ4` |  |
| Molar volume; _printed: V0_ | 7.47 Å3/atom | 0 | hcp-Re | DFT | [7] Zacherl 2012 | Table 2, p. 4, row 1; `ORC-FD7OHJ5KFH` |  |
| lattice c a | 1.613 not_printed | 0 | Re (hcp); _alloy: Re 1_ | DFT | [1] Liu 2013 | Table 1, p. 4, row 1; `ORC-2POQD7MJH2.f8423e` |  |
| lattice c a | 1.615 not_printed | 0 | Re (hcp); _alloy: Re 1_ | DFT | [1] Liu 2013; _cites Wang 2004_ [doi](https://doi.org/10.1016/j.actamat.2004.02.014) | Table 1, p. 4, row 2; `ORC-6X4UVYOPO4.b0afae` |  |
| 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; `ORC-YW3CCOAGLR.0f35d1` |  |

## Sources

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

1. 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](https://doi.org/10.1016/j.calphad.2013.02.006)
2. 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](https://doi.org/10.1016/j.calphad.2013.08.002)
3. 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](https://doi.org/10.1016/j.calphad.2010.09.003)
4. 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](https://doi.org/10.1016/j.intermet.2009.10.012)
5. 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](https://doi.org/10.1007/s11669-023-01079-3)
6. 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](https://doi.org/10.1016/j.intermet.2010.08.032)
7. 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](https://doi.org/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). https://doi.org/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). https://doi.org/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.

```bibtex
@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}
}
```

---

Derived data CC BY 4.0 ([licence](https://creativecommons.org/licenses/by/4.0/)): cite ORCHID ([CITATION.cff](https://data.orchid-project.org/CITATION.cff)) and the original sources. Quotes are short excerpts kept so that each value can be checked; they remain under the publishers' copyright and are not relicensed. Source papers, page images and full text are not redistributed. Field reference: [SCHEMA.md](https://data.orchid-project.org/literature/SCHEMA.md). Machine-readable guide: [llms.txt](https://data.orchid-project.org/llms.txt). Found an error? The report link of a value (Markdown: its id, ORC-..., in the Location column) opens a pre-filled GitHub issue, https://github.com/orchid-calphad/orchid-data/issues/new?template=report-value-error.yml&record_id=\<id>, carrying only the record id, source and value; [how to contribute](https://orchid-project.org/contribute/).