Pd–Zn system

44 accepted literature values from 2 paper(s) (experimental 23, model 6, DFT 15); 2 calculated phase diagram(s). 9 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 (11) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	23
model	6
DFT	15

Accepted values by property group
Property group	Values
invariant reaction	11
phase transition	2
phase equilibrium	4
formation	8
crystal structure	17
other property	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
PdZn-06Viz.tdb	J. Vizdal, A. Kroupa, J. Popovic, A. Zemanova, Adv. Eng. Mater., 8, 164-76(2006). doi:10.1002/adem.200500248	`7b8570f7ef304c4fda696e16c59ee701906e364b26d7bf6ff586295531cf0857`	viewer · TDB · JSON
PdZn-22Gon.tdb	R. Gong, S.-L. Shang, H. Sun, M.J. Janik, Z.-K. Liu, Calphad, 79, 102491(2022). doi:10.1016/j.calphad.2022.102491	`99566a1833f6db68b2bc4a138050c36f1e86f825fb672fd8674b4337c229ec64`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
PdZn-06Viz.tdb	1651.46	FCC_A1 (x(Zn) 0.24892) + LIQUID (x(Zn) 0.29049) + PDZN_B2 (x(Zn) 0.29653)
PdZn-06Viz.tdb	1651.46	FCC_A1 (x(Zn) 0.24892) + LIQUID (x(Zn) 0.29049) + PDZN_B2 (x(Zn) 0.29653)
PdZn-06Viz.tdb	1131.02	PDZN_B2 (x(Zn) 0.65716) + LIQUID (x(Zn) 0.7371) + PD2ZN9_D82 (x(Zn) 0.765)
PdZn-06Viz.tdb	967.8	FCC_A1 (x(Zn) 0.23932) + PDZN_B2 (x(Zn) 0.30463) + PDZN_L2A (x(Zn) 0.35441)
PdZn-06Viz.tdb	967.8	FCC_A1 (x(Zn) 0.23932) + PDZN_B2 (x(Zn) 0.30463) + PDZN_L2A (x(Zn) 0.35441)
PdZn-06Viz.tdb	967.8	FCC_A1 (x(Zn) 0.23932) + PDZN_B2 (x(Zn) 0.30463) + PDZN_L2A (x(Zn) 0.35441)
PdZn-06Viz.tdb	964.49	FCC_A1 (x(Zn) 0.23905) + PD2ZN_C37 (x(Zn) 0.33333) + PDZN_L2A (x(Zn) 0.35431)
PdZn-06Viz.tdb	964.49	FCC_A1 (x(Zn) 0.23905) + PD2ZN_C37 (x(Zn) 0.33333) + PDZN_L2A (x(Zn) 0.35431)
PdZn-06Viz.tdb	964.49	FCC_A1 (x(Zn) 0.23904) + PD2ZN_C37 (x(Zn) 0.33333) + PDZN_L2A (x(Zn) 0.3543)
PdZn-06Viz.tdb	837.82	PDZN_L2A (x(Zn) 0.61784) + PDZN_B2 (x(Zn) 0.65465) + PD2ZN9_D82 (x(Zn) 0.7717)
PdZn-06Viz.tdb	837.82	PDZN_L2A (x(Zn) 0.61784) + PDZN_B2 (x(Zn) 0.65465) + PD2ZN9_D82 (x(Zn) 0.7717)
PdZn-06Viz.tdb	799.63	PDZN_L2A (x(Zn) 0.61878) + PDZN2 (x(Zn) 0.66667) + PD2ZN9_D82 (x(Zn) 0.77373)
PdZn-06Viz.tdb	799.63	PDZN_L2A (x(Zn) 0.61878) + PDZN2 (x(Zn) 0.66667) + PD2ZN9_D82 (x(Zn) 0.77373)
PdZn-06Viz.tdb	707.35	PD2ZN9_D82 (x(Zn) 0.83944) + PDZN10 (x(Zn) 0.91) + LIQUID (x(Zn) 0.97982)
PdZn-06Viz.tdb	689.76	PDZN10 (x(Zn) 0.91) + LIQUID (x(Zn) 0.98359) + HCP_A3 (x(Zn) 0.98541)
PdZn-06Viz.tdb	570.59	PD2ZN9_D82 (x(Zn) 0.84203) + PDZN10 (x(Zn) 0.91) + HCP_A3 (x(Zn) 0.99295)
PdZn-22Gon.tdb	1660.28	FCC_A1 (x(Zn) 0.21983) + LIQUID (x(Zn) 0.28786) + B2_BCC (x(Zn) 0.30181)
PdZn-22Gon.tdb	1122.12	B2_BCC (x(Zn) 0.63676) + LIQUID (x(Zn) 0.74853) + PD2ZN9_D82 (x(Zn) 0.78105)
PdZn-22Gon.tdb	949.78	B2_BCC (x(Zn) 0.32243) + PD2ZN_C37 (x(Zn) 0.33333) + PDZN_L2A (x(Zn) 0.36087)
PdZn-22Gon.tdb	949.19	FCC_A1 (x(Zn) 0.22921) + B2_BCC (x(Zn) 0.32218) + PD2ZN_C37 (x(Zn) 0.33333)
PdZn-22Gon.tdb	949.19	FCC_A1 (x(Zn) 0.22921) + B2_BCC (x(Zn) 0.32218) + PD2ZN_C37 (x(Zn) 0.33333)
PdZn-22Gon.tdb	834.01	PDZN_L2A (x(Zn) 0.57304) + B2_BCC (x(Zn) 0.61467) + PD2ZN9_D82 (x(Zn) 0.77535)
PdZn-22Gon.tdb	799.48	PDZN_L2A (x(Zn) 0.5723) + PDZN2 (x(Zn) 0.66667) + PD2ZN9_D82 (x(Zn) 0.7752)
PdZn-22Gon.tdb	707.14	PD2ZN9_D82 (x(Zn) 0.8462) + PDZN10 (x(Zn) 0.91) + LIQUID (x(Zn) 0.97707)
PdZn-22Gon.tdb	681.08	PDZN10 (x(Zn) 0.91) + LIQUID (x(Zn) 0.98234) + HCP_A3 (x(Zn) 0.98986)
PdZn-22Gon.tdb	571.39	PD2ZN9_D82 (x(Zn) 0.84617) + PDZN10 (x(Zn) 0.91) + HCP_A3 (x(Zn) 0.9946)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull PdZn-06Viz

Invariant reactions (literature)

Invariant reactions reported in the literature for the Pd–Zn system (11)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
1122.1	eutectic: Liquid -> β + γ	Liquid: Zn 0.749; β: Zn 0.637; γ: Zn 0.781	model	[1] Gong 2022	Table 7, p. 35, row 1 report
1118	eutectic: Liquid -> β + γ	Liquid: Zn 0.75; β: Zn 0.65; γ: Zn 0.77	experimental	[1] Gong 2022 cites ref. 17	Table 7, p. 35, row 2 report
838	β -> β1 + γ	β: Zn 0.57; β1: Zn 0.55; γ: Zn 0.76	experimental	[1] Gong 2022 cites ref. 17	Table 7, p. 35, row 4 report
834	β -> β1 + γ	β: Zn 0.615; β1: Zn 0.573; γ: Zn 0.775	model	[1] Gong 2022	Table 7, p. 35, row 3 report
803	β1 + γ -> PdZn2	β1: Zn 0.56; γ: Zn 0.76; PdZn2: Zn 0.667	experimental	[1] Gong 2022 cites ref. 17	Table 7, p. 35, row 6 report
799.6	β1 + γ -> PdZn2	β1: Zn 0.572; γ: Zn 0.775; PdZn2: Zn 0.667	model	[1] Gong 2022	Table 7, p. 35, row 5 report
707.2	Liquid + γ -> Pd9Zn91	Liquid: Zn 0.977; γ: Zn 0.846; Pd9Zn91: Zn 0.91	model	[1] Gong 2022	Table 7, p. 35, row 7 report
707	Liquid + γ -> Pd9Zn91	γ: Pd 0.181818, Zn 0.818182; Pd9Zn91: Pd 0.09, Zn 0.91	experimental	[1] Gong 2022 cites ref. 9	Table 7, p. 35, row 9 report
703	Liquid + γ -> Pd9Zn91	Liquid: Zn 0.98; γ: Zn 0.85; Pd9Zn91: Zn 0.92	experimental	[1] Gong 2022 cites ref. 18	Table 7, p. 35, row 8 report
690	eutectic: Liquid -> Pd9Zn91 + HCP	Pd9Zn91: Pd 0.09, Zn 0.91	experimental	[1] Gong 2022 cites ref. 9	Table 7, p. 35, row 11 report
681.1	eutectic: Liquid -> Pd9Zn91 + HCP	Liquid: Zn 0.982; Pd9Zn91: Zn 0.91; HCP: Zn 0.99	model	[1] Gong 2022	Table 7, p. 35, 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, Pd–Zn system (8)
Phase	Value	T (K)	Class	Source	Location	Quote
β1	-66.5 kJ/mol-atom	1273.15	experimental	[1] Gong 2022 cites ref. 20	p. 5 report	They also reported the enthalpies of formation of β1 as -66.5 kJ/molatom at 1000°C.
β1 phase	-73.9 kJ/mol-atom ± 10	1273	experimental	[1] Gong 2022 cites superimposed	Table 5, p. 31, row 6 report
β1 phase	-69.2 kJ/mol-atom	0	DFT	[1] Gong 2022	Table 5, p. 31, row 5 report
β1 phase	-66.6 kJ/mol-atom	1273	experimental	[1] Gong 2022 cites ref. 20	Table 5, p. 31, row 7 report
β1 phase	-53.7 kJ/mol-atom	0	DFT	[1] Gong 2022	Table 5, p. 31, row 4 report
γ	-27.9 kJ/mol-atom	0	DFT	[1] Gong 2022	Table 5, p. 31, row 1 report
γ phase	-35.1 kJ/mol-atom	300	experimental	[1] Gong 2022 cites ref. 10	Table 5, p. 31, row 3 report
γ phase	-33.7 kJ/mol-atom	0	DFT	[1] Gong 2022	Table 5, p. 31, row 2 report

Other properties

Phase transition (2)

Phase transition, Pd–Zn system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	1150 K	1150	congruent transformation	model	[1] Gong 2022	p. 15 report	The congruent melting temperature of the γ phase is 1150 K in good agreement with 1153 K suggested by Massalski [17].
Phase transition	1153 K	1153	congruent transformation	experimental	[1] Gong 2022 cites ref. 17	p. 15 report	The congruent melting temperature of the γ phase is 1150 K in good agreement with 1153 K suggested by Massalski [17].

Phase equilibrium (4)

Phase equilibrium, Pd–Zn system
Property	T (K)	Phases / composition	Class	Source	Location
Phase composition	573.15	γ + HCP_Zn γ: Pd 0.182, Zn 0.818; HCP_Zn: Pd 0.008, Zn 0.992	experimental	[2] Vizdal 2006	Table 1, p. 3, row 3 report
Phase composition	573.15	γ + HCP_Zn γ: Pd 0.173, Zn 0.827; HCP_Zn: Pd 0.004, Zn 0.996	experimental	[2] Vizdal 2006	Table 1, p. 3, row 1 report
Phase composition	673.15	γ + η γ: Pd 0.196, Zn 0.804; η: Pd 0.122, Zn 0.878	experimental	[2] Vizdal 2006	Table 1, p. 3, row 4 report
Phase composition	673.15	η + HCP_Zn η: Pd 0.085, Zn 0.915; HCP_Zn: Pd 0.009, Zn 0.991	experimental	[2] Vizdal 2006	Table 1, p. 3, row 2 report

Crystal structure (17)

Crystal structure, Pd–Zn system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	5.3975 Å	0	Pd2Zn alloy: Zn 0.333333	DFT	[1] Gong 2022	Table 3, p. 29, row 5 report
Lattice a	5.35 Å		Pd2Zn alloy: Zn 0.333333	experimental	[1] Gong 2022 cites ref. 40	Table 3, p. 29, row 6 report
Lattice a	7.4235 Å	0	PdZn2 alloy: Zn 0.666667	DFT	[1] Gong 2022	Table 3, p. 29, row 7 report
Lattice a	7.363 Å		PdZn2 alloy: Zn 0.666667	experimental	[1] Gong 2022 cites ref. 46	Table 3, p. 29, row 8 report
Lattice a	9.1024 Å	0	γ phase	DFT	[1] Gong 2022	Table 3, p. 29, row 9 report
Lattice a	9.1022 Å		γ phase	experimental	[1] Gong 2022 cites ref. 8	Table 3, p. 29, row 10 report
Lattice a	9.0906 Å		γ phase	experimental	[1] Gong 2022 cites ref. 42	Table 3, p. 29, row 11 report
Lattice b	4.1917 Å	0	Pd2Zn alloy: Zn 0.333333	DFT	[1] Gong 2022	Table 3, p. 29, row 5 report
Lattice b	4.14 Å		Pd2Zn alloy: Zn 0.333333	experimental	[1] Gong 2022 cites ref. 40	Table 3, p. 29, row 6 report
Lattice b	7.5773 Å	0	PdZn2 alloy: Zn 0.666667	DFT	[1] Gong 2022	Table 3, p. 29, row 7 report
Lattice b	7.525 Å		PdZn2 alloy: Zn 0.666667	experimental	[1] Gong 2022 cites ref. 46	Table 3, p. 29, row 8 report
Lattice c	7.8343 Å	0	Pd2Zn alloy: Zn 0.333333	DFT	[1] Gong 2022	Table 3, p. 29, row 5 report
Lattice c	7.65 Å		Pd2Zn alloy: Zn 0.333333	experimental	[1] Gong 2022 cites ref. 40	Table 3, p. 29, row 6 report
Lattice c	12.3196 Å	0	PdZn2 alloy: Zn 0.666667	DFT	[1] Gong 2022	Table 3, p. 29, row 7 report
Lattice c	12.307 Å		PdZn2 alloy: Zn 0.666667	experimental	[1] Gong 2022 cites ref. 46	Table 3, p. 29, row 8 report
volume printed: V0	14.824 Å3/atom	0	Pd2Zn alloy: Zn 0.333333	DFT	[1] Gong 2022	Table 4, p. 30, row 7 report
volume printed: V0	14.576 Å3/atom	0	PdZn2 alloy: Zn 0.666667	DFT	[1] Gong 2022	Table 4, p. 30, row 8 report

Other property (2)

Other property, Pd–Zn system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
bulk modulus printed: B	146 GPa	0	Pd2Zn alloy: Zn 0.333333	DFT	[1] Gong 2022	Table 4, p. 30, row 7 report
bulk modulus printed: B	118.1 GPa	0	PdZn2 alloy: Zn 0.666667	DFT	[1] Gong 2022	Table 4, p. 30, row 8 report

Sources

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

Rushi Gong, Shun-Li Shang, Hui Sun, Michael J. Janik, Zi-Kui Liu, Thermodynamic modeling of the Pd–Zn system with uncertainty quantification and its implication to tailor catalysts, Calphad 79, 102491 (2022). doi:10.1016/j.calphad.2022.102491
J. Vizdal, A. Kroupa, J. Popovic, A. Zemanova, The Experimental and Theoretical Study of Phase Equilibria in the Pd–Zn (‐Sn) System, Adv Eng Mater 8, 164-176 (2006). doi:10.1002/adem.200500248

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}
}