# Pd–Ru system > Pd–Ru system: 19 accepted literature values (mixing / partial 10, invariant reaction 7, activity / EMF / Gibbs energy 2) and 2 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote. HTML: https://data.orchid-project.org/systems/PD-RU.html · Markdown: https://data.orchid-project.org/systems/PD-RU.md 19 accepted literature values from 1 paper(s) (experimental 6, model 3, DFT 10); 2 calculated phase diagram(s). 1 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV. Data: [JSON](https://data.orchid-project.org/literature/systems/PD-RU.json) · [CSV](https://data.orchid-project.org/systems/PD-RU.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#PD-RU) · [interactive phase diagram](https://orchid-project.org/phase-diagrams/#PD-RU/PdRu-16Gos.json) · [phases (4)](https://data.orchid-project.org/phases/pages/PD-RU.html) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/PD-RU.html) · [Markdown](https://data.orchid-project.org/systems/PD-RU.md) Table: Accepted values by evidence class | Evidence class | Values | |---|---:| | experimental | 6 | | model | 3 | | DFT | 10 | Table: Accepted values by property group | Property group | Values | |---|---:| | invariant reaction | 7 | | mixing / partial | 10 | | activity / EMF / Gibbs energy | 2 | ## 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. Table: Assessments with a calculated phase diagram | TDB file | Assessment | SHA-256 | Links | |---|---|---|---| | PdRu-16Gos.tdb | S. Gosse, N. Dupin, C. Gueneau, J.-C. Crivello, J.-M. Joubert, J. Nucl. Mater., 474, 163-73(2016). [doi:10.1016/j.jnucmat.2016.03.025](https://doi.org/10.1016/j.jnucmat.2016.03.025) | `9a1ab65f3ae856616c7ac1cb262015b0a128cfacdc8c2f044266e07d26bd8bb2` | [viewer](https://orchid-project.org/phase-diagrams/#PD-RU/PdRu-16Gos.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/PdRu-16Gos.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/PdRu-16Gos.json) | | PdRu-98Spe-LB.tdb | P.J. Spencer, unpublished work, 1998. | `3c7dd4a8054f74f4a50db24955ec681543429e9b4c8f907613601d85768e5112` | [viewer](https://orchid-project.org/phase-diagrams/#PD-RU/PdRu-98Spe-LB.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/PdRu-98Spe-LB.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/PdRu-98Spe-LB.json) | Table: Calculated three-phase invariants (model, mole fraction of the second component) | TDB file | T (K) | Phases at the invariant | |---|---:|---| | PdRu-16Gos.tdb | 1867.28 | LIQUID (x(Ru) 0.13748) + FCC_A1 (x(Ru) 0.19156) + HCP_A3 (x(Ru) 0.93942) | | PdRu-98Spe-LB.tdb | 1856.22 | LIQUID (x(Ru) 0.14566) + FCC_A1 (x(Ru) 0.17302) + HCP_A3 (x(Ru) 0.82653) | Convex hulls: [Materials Project DFT hull](https://data.orchid-project.org/hulls/dft-mp/PD/PD-RU.json) · [OQMD DFT hull](https://data.orchid-project.org/hulls/dft-oqmd/PD/PD-RU.json) · [CALPHAD hull PdRu-98Spe-LB](https://data.orchid-project.org/hulls/calphad-sgte/PD/PD-RU--PdRu-98Spe-LB.json) ## Invariant reactions (literature) Table: Invariant reactions reported in the literature for the Pd–Ru system (7) | T (K) | Reaction / phases | Compositions (mole fraction) | Class | Source | Location | Quote | |---:|---|---|---|---|---|---| | 1867 | peritectic: peritectic reaction | FCC: Ru 0.21 | experimental | [1] Gossé 2016; _cites Tripathi 1993_ | Table 1, p. 3, row 6; `ORC-N3XU5LTGY5` | | | 1867 | peritectic: peritectic reaction | L: Ru 0.12; FCC: Ru 0.19; HCP: Ru 0.923 | experimental | [1] Gossé 2016; _cites Kleykamp 1989_ [doi](https://doi.org/10.1016/0022-3115%2889%2990424-8) | Table 1, p. 3, row 2; `ORC-SHOC5JVZDZ` | | | 1866 | peritectic: peritectic reaction | L: Ru 0.02; FCC: Ru 0.18; HCP: Ru 0.71 | experimental | [1] Gossé 2016; _cites Rudnitskii 1959_ | Table 1, p. 3, row 5; `ORC-7WL6RS5GKI` | | | 1866 | peritectic: peritectic reaction | L: Ru 0.1; FCC: Ru 0.185; HCP: Ru 0.923 | model | [1] Gossé 2016; _cites Gurler 1993_ [doi](https://doi.org/10.1016/0925-8388%2893%2990291-t) | Table 1, p. 3, row 7; `ORC-E3WA5JKGAP` | | | 1858 | peritectic: peritectic reaction | L: Ru 0.09; FCC: Ru 0.16; HCP: Ru 0.7 | experimental | [1] Gossé 2016; _cites Obrowski 1962_ | Table 1, p. 3, row 3; `ORC-2PX7AIVFSB` | | | 1856 | peritectic: peritectic reaction | | experimental | [1] Gossé 2016; _cites Okamoto 1990_ | Table 1, p. 3, row 4; `ORC-32HO3JBTZR` | | | 1852 | peritectic: peritectic reaction | FCC: Ru 0.18; HCP: Ru 0.83 | experimental | [1] Gossé 2016; _cites Darling 1960_ [doi](https://doi.org/10.1595/003214060x43104110) | Table 1, p. 3, row 1; `ORC-PKYFZF36TQ` | | ## Other properties ### Mixing / partial (10) Table: Mixing / partial, Pd–Ru system | Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote | |---|---:|---:|---|---|---|---|---| | Enthalpy of mixing; _printed: FCC mixing enthalpy_ | 6.1722 kJ/mol (basis unstated) | 0 | FCC; _alloy: Pd 0.25, Ru 0.75_ | DFT | [1] Gossé 2016 | Table 2, p. 4, row 7; `ORC-4KHG2GTDX7.0a8b34` | | | Enthalpy of mixing; _printed: FCC mixing enthalpy_ | 8.9651 kJ/mol (basis unstated) | 0 | FCC; _alloy: Pd 0.5, Ru 0.5_ | DFT | [1] Gossé 2016 | Table 2, p. 4, row 8; `ORC-MOCDYAXLE3.502caf` | | | Enthalpy of mixing; _printed: FCC mixing enthalpy_ | 1.6291 kJ/mol (basis unstated) | 0 | FCC; _alloy: Pd 0.94, Ru 0.06_ | DFT | [1] Gossé 2016 | Table 2, p. 4, row 10; `ORC-ODF2ZJIMSU.c0b517` | | | Enthalpy of mixing; _printed: FCC mixing enthalpy_ | 7.6001 kJ/mol (basis unstated) | 0 | FCC; _alloy: Pd 0.75, Ru 0.25_ | DFT | [1] Gossé 2016 | Table 2, p. 4, row 9; `ORC-RO57ELJICS.63f8d2` | | | Enthalpy of mixing; _printed: FCC mixing enthalpy_ | 2.8853 kJ/mol (basis unstated) | 0 | FCC; _alloy: Pd 0.06, Ru 0.94_ | DFT | [1] Gossé 2016 | Table 2, p. 4, row 6; `ORC-UTYOM6SMZ5.ad5128` | | | Enthalpy of mixing; _printed: HCP mixing enthalpy_ | 10.8249 kJ/mol (basis unstated) | 0 | HCP; _alloy: Pd 0.25, Ru 0.75_ | DFT | [1] Gossé 2016 | Table 2, p. 4, row 7; `ORC-4KHG2GTDX7.a0087b` | | | Enthalpy of mixing; _printed: HCP mixing enthalpy_ | 12.1563 kJ/mol (basis unstated) | 0 | HCP; _alloy: Pd 0.5, Ru 0.5_ | DFT | [1] Gossé 2016 | Table 2, p. 4, row 8; `ORC-MOCDYAXLE3.4d659b` | | | Enthalpy of mixing; _printed: HCP mixing enthalpy_ | 2.5136 kJ/mol (basis unstated) | 0 | HCP; _alloy: Pd 0.94, Ru 0.06_ | DFT | [1] Gossé 2016 | Table 2, p. 4, row 10; `ORC-ODF2ZJIMSU.bd892f` | | | Enthalpy of mixing; _printed: HCP mixing enthalpy_ | 10.0727 kJ/mol (basis unstated) | 0 | HCP; _alloy: Pd 0.75, Ru 0.25_ | DFT | [1] Gossé 2016 | Table 2, p. 4, row 9; `ORC-RO57ELJICS.2cdb65` | | | Enthalpy of mixing; _printed: HCP mixing enthalpy_ | 5.0026 kJ/mol (basis unstated) | 0 | HCP; _alloy: Pd 0.06, Ru 0.94_ | DFT | [1] Gossé 2016 | Table 2, p. 4, row 6; `ORC-UTYOM6SMZ5.82f466` | | ### Activity / EMF / Gibbs energy (2) Table: Activity / EMF / Gibbs energy, Pd–Ru system | Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote | |---|---:|---:|---|---|---|---|---| | Activity; _printed: activity_ | 0.99 unspecified | 1100 | | model | [1] Gossé 2016 | p. 5; `ORC-DNSNFDTEMS.1b8b31` | “The calculated activity of Ru at 1100 K and 1200 K are about 0.99 while Kleykamp \[34\] reported an experimental value of 0.53.” | | Activity; _printed: activity_ | 0.99 unspecified | 1200 | | model | [1] Gossé 2016 | p. 5; `ORC-DNSNFDTEMS.9a998c` | “The calculated activity of Ru at 1100 K and 1200 K are about 0.99 while Kleykamp \[34\] reported an experimental value of 0.53.” | ## Sources Reporting papers the values were read from (a value cited from another work names that work in its row). 1. S. Gossé, N. Dupin, C. Guéneau, J.-C. Crivello, J.-M. Joubert, Thermodynamic assessment of the Pd Rh Ru system using calphad and first-principles methods, Journal of Nuclear Materials 474, 163-173 (2016). [doi:10.1016/j.jnucmat.2016.03.025](https://doi.org/10.1016/j.jnucmat.2016.03.025) ## 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-Diagrams: calculated binary phase diagrams (version 2026.10), Zenodo (2026). https://doi.org/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). https://doi.org/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). 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_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} } ``` --- 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=\, carrying only the record id, source and value; [how to contribute](https://orchid-project.org/contribute/).