Cu–Pd system

12 accepted literature values from 2 paper(s) (experimental 6, model 5, DFT 1); 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 (10) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	6
model	5
DFT	1

Accepted values by property group
Property group	Values
invariant reaction	6
phase transition	4
formation	1
mixing / partial	1

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
CuPd-07Hua.tdb	W. Huang, S.M. Opalka, D. Wang, T.B. Flanagan, Calphad, 31, 315-29(2007). doi:10.1016/j.calphad.2007.02.002	`06510f59b44887a3f29f3a613f8333270ecbe2388c4a41c20003dac3f380513c`	viewer · TDB · JSON
CuPd-08Li.tdb	M. Li, Z. Du, C. Guo, C. Li, Calphad, 32, 439-46(2008). doi:10.1016/j.calphad.2008.04.004	`9f6569339cd316e70c9bff861d70a899d02f86543ed9eb694530738838042353`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
CuPd-08Li.tdb	1357.77	L12_FCC (x(Pd) 0) + D2_LPS (x(Pd) 0) + LIQUID (x(Pd) 0)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull CuPd-07Hua

Invariant reactions (literature)

Invariant reactions reported in the literature for the Cu–Pd system (6)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
768	fcc + Cu3Pd -> 1D-LPS	fcc: Pd 0.2001; Cu3Pd: Pd 0.1785; 1D-LPS: Pd 0.1821	experimental	[1] Li 2008 cites Huang 1991 doi	Table 3, p. 6, row 6 report
768	fcc + Cu3Pd -> 1D-LPS	fcc: Pd 0.1894; Cu3Pd: Pd 0.1819; 1D-LPS: Pd 0.1876	model	[1] Li 2008	Table 3, p. 6, row 5 report
748	fcc + 1D - LPS -> 2D-LPS	fcc: Pd 0.2212; 1D - LPS: Pd 0.2132; 2D-LPS: Pd 0.2207	model	[1] Li 2008	Table 3, p. 6, row 7 report
748	fcc + 1D - LPS -> 2D-LPS	fcc: Pd 0.2231; 1D - LPS: Pd 0.2022; 2D-LPS: Pd 0.2185	experimental	[1] Li 2008 cites Huang 1991 doi	Table 3, p. 6, row 8 report
673	fcc -> 2D-LPS + CuPd	fcc: Pd 0.2941; 2D-LPS: Pd 0.2825; CuPd: Pd 0.3426	model	[1] Li 2008	Table 3, p. 6, row 9 report
673	fcc -> 2D-LPS + CuPd	fcc: Pd 0.3092; 2D-LPS: Pd 0.3002; CuPd: Pd 0.3525	experimental	[1] Li 2008 cites Huang 1991 doi	Table 3, p. 6, 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, Cu–Pd system (1)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location	Quote
CuPd B2		-12.73 kJ/mol-atom	298.15	DFT			[2] Huang 2007	Table 2, p. 6, row 6 report

Other properties

Phase transition (4)

Phase transition, Cu–Pd system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Phase transition	781 K	781	fcc -> Cu3Pd fcc: Pd 0.161; Cu3Pd: Pd 0.161	model	[1] Li 2008	Table 3, p. 6, row 3 report
Phase transition	781 K	781	fcc -> Cu3Pd fcc: Pd 0.1582; Cu3Pd: Pd 0.1582	experimental	[1] Li 2008 cites Huang 1991 doi	Table 3, p. 6, row 4 report
Phase transition	871 K	871	fcc -> CuPd fcc: Pd 0.4047; CuPd: Pd 0.4047	experimental	[1] Li 2008 cites Huang 1991 doi	Table 3, p. 6, row 2 report
Phase transition	871 K	871	fcc -> CuPd fcc: Pd 0.407; CuPd: Pd 0.407	model	[1] Li 2008	Table 3, p. 6, row 1 report

Mixing / partial (1)

Mixing / partial, Cu–Pd system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Enthalpy of mixing printed: enthalpy of mixing	-15 unspecified ± 1	1600	liquid	experimental	[2] Huang 2007 cites Arpshofen 1981	p. 7 report	Since the measured enthalpies of mixing of the liquid phase at 1600 K [15] are rather scattered, they were not included in the initial parameter optimization. Nevertheless, the model-calculated enthalpy agreed reasonably well with the experimental data. In the final optimization, one value of -15 ± 1 kJ/mol at 50 at.%Pd was included.

Sources

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

Mei Li, Zhenmin Du, Cuiping Guo, Changrong Li, A thermodynamic modeling of the Cu–Pd system, Calphad 32, 439-446 (2008). doi:10.1016/j.calphad.2008.04.004
Weiming Huang, Susanne M. Opalka, Da Wang, Ted B. Flanagan, Thermodynamic modelling of the Cu–Pd–H system, Calphad 31, 315-329 (2007). doi:10.1016/j.calphad.2007.02.002

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}
}