Pd–Ru system

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 · CSV · interactive explorer · interactive phase diagram · phases (4) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	6
model	3
DFT	10

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.

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	`9a1ab65f3ae856616c7ac1cb262015b0a128cfacdc8c2f044266e07d26bd8bb2`	viewer · TDB · JSON
PdRu-98Spe-LB.tdb	P.J. Spencer, unpublished work, 1998.	`3c7dd4a8054f74f4a50db24955ec681543429e9b4c8f907613601d85768e5112`	viewer · TDB · JSON

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 · OQMD DFT hull · CALPHAD hull PdRu-98Spe-LB

Invariant reactions (literature)

Invariant reactions reported in the literature for the Pd–Ru system (7)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
1867	peritectic: peritectic reaction	FCC: Ru 0.21	experimental	[1] Gossé 2016 cites Tripathi 1993	Table 1, p. 3, row 6 report
1867	peritectic: peritectic reaction	L: Ru 0.12; FCC: Ru 0.19; HCP: Ru 0.923	experimental	[1] Gossé 2016 cites Kleykamp 1989 doi	Table 1, p. 3, row 2 report
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 report
1866	peritectic: peritectic reaction	L: Ru 0.1; FCC: Ru 0.185; HCP: Ru 0.923	model	[1] Gossé 2016 cites Gurler 1993 doi	Table 1, p. 3, row 7 report
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 report
1856	peritectic: peritectic reaction		experimental	[1] Gossé 2016 cites Okamoto 1990	Table 1, p. 3, row 4 report
1852	peritectic: peritectic reaction	FCC: Ru 0.18; HCP: Ru 0.83	experimental	[1] Gossé 2016 cites Darling 1960 doi	Table 1, p. 3, row 1 report

Other properties

Mixing / partial (10)

Mixing / partial, Pd–Ru system
Property	Value	Phases / composition	Class	Source	Location
Enthalpy of mixing printed: FCC mixing enthalpy	6.1722 kJ/mol (basis unstated)	FCC alloy: Pd 0.25, Ru 0.75	DFT	[1] Gossé 2016	Table 2, p. 4, row 7 report
Enthalpy of mixing printed: FCC mixing enthalpy	8.9651 kJ/mol (basis unstated)	FCC alloy: Pd 0.5, Ru 0.5	DFT	[1] Gossé 2016	Table 2, p. 4, row 8 report
Enthalpy of mixing printed: FCC mixing enthalpy	1.6291 kJ/mol (basis unstated)	FCC alloy: Pd 0.94, Ru 0.06	DFT	[1] Gossé 2016	Table 2, p. 4, row 10 report
Enthalpy of mixing printed: FCC mixing enthalpy	7.6001 kJ/mol (basis unstated)	FCC alloy: Pd 0.75, Ru 0.25	DFT	[1] Gossé 2016	Table 2, p. 4, row 9 report
Enthalpy of mixing printed: FCC mixing enthalpy	2.8853 kJ/mol (basis unstated)	FCC alloy: Pd 0.06, Ru 0.94	DFT	[1] Gossé 2016	Table 2, p. 4, row 6 report
Enthalpy of mixing printed: HCP mixing enthalpy	10.8249 kJ/mol (basis unstated)	HCP alloy: Pd 0.25, Ru 0.75	DFT	[1] Gossé 2016	Table 2, p. 4, row 7 report
Enthalpy of mixing printed: HCP mixing enthalpy	12.1563 kJ/mol (basis unstated)	HCP alloy: Pd 0.5, Ru 0.5	DFT	[1] Gossé 2016	Table 2, p. 4, row 8 report
Enthalpy of mixing printed: HCP mixing enthalpy	2.5136 kJ/mol (basis unstated)	HCP alloy: Pd 0.94, Ru 0.06	DFT	[1] Gossé 2016	Table 2, p. 4, row 10 report
Enthalpy of mixing printed: HCP mixing enthalpy	10.0727 kJ/mol (basis unstated)	HCP alloy: Pd 0.75, Ru 0.25	DFT	[1] Gossé 2016	Table 2, p. 4, row 9 report
Enthalpy of mixing printed: HCP mixing enthalpy	5.0026 kJ/mol (basis unstated)	HCP alloy: Pd 0.06, Ru 0.94	DFT	[1] Gossé 2016	Table 2, p. 4, row 6 report

Activity / EMF / Gibbs energy (2)

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 report	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 report	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).

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

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}
}