Pd–S system

32 accepted literature values from 1 paper(s) (experimental 15, model 12, DFT 5); 1 calculated phase diagram(s). 3 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	15
model	12
DFT	5

Accepted values by property group
Property group	Values
invariant reaction	12
formation	20

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
PdS-10Hu.tdb	R. Hu, M.C. Gao, O.N. Dogan, P. King, M. Widom, Calphad, 34, 324-31(2010). doi:10.1016/j.calphad.2010.07.002	`11a6e85b5b6570eb477a1d6cfa0579b46b6643fcca6807ce0927045f88a4105c`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
PdS-10Hu.tdb	1047.05	FCC_A1 (x(S) 0) + PD4S (x(S) 0.2) + LIQUID (x(S) 0.20378)
PdS-10Hu.tdb	1047.05	FCC_A1 (x(S) 0) + PD4S (x(S) 0.2) + LIQUID (x(S) 0.20376)
PdS-10Hu.tdb	1047.05	FCC_A1 (x(S) 0) + PD4S (x(S) 0.2) + LIQUID (x(S) 0.20366)
PdS-10Hu.tdb	918.75	PD4S (x(S) 0.2) + PD3S (x(S) 0.25) + LIQUID (x(S) 0.26681)
PdS-10Hu.tdb	918.75	PD4S (x(S) 0.2) + PD3S (x(S) 0.25) + LIQUID (x(S) 0.26675)
PdS-10Hu.tdb	918.75	PD4S (x(S) 0.2) + PD3S (x(S) 0.25) + LIQUID (x(S) 0.26663)
PdS-10Hu.tdb	917.23	LIQUID (x(S) 0.29535) + PD16S7 (x(S) 0.30435) + PDS_B34 (x(S) 0.5)
PdS-10Hu.tdb	917.23	LIQUID (x(S) 0.2954) + PD16S7 (x(S) 0.30435) + PDS_B34 (x(S) 0.5)
PdS-10Hu.tdb	917.23	LIQUID (x(S) 0.29552) + PD16S7 (x(S) 0.30435) + PDS_B34 (x(S) 0.5)
PdS-10Hu.tdb	901	PD3S (x(S) 0.25) + LIQUID (x(S) 0.27753) + PD16S7 (x(S) 0.30435)
PdS-10Hu.tdb	901	PD3S (x(S) 0.25) + LIQUID (x(S) 0.27772) + PD16S7 (x(S) 0.30435)
PdS-10Hu.tdb	900.99	PD3S (x(S) 0.25) + LIQUID (x(S) 0.27761) + PD16S7 (x(S) 0.30435)
PdS-10Hu.tdb	836.33	PD4S (x(S) 0.2) + PD3S (x(S) 0.25) + PD16S7 (x(S) 0.30435)
PdS-10Hu.tdb	368.3	LIQUID (x(S) 0.98388) + ORTHORHOMBIC_A16 (x(S) 1) + MONOCLINIC_S (x(S) 1)

Convex hulls: Materials Project DFT hull · OQMD DFT hull

Invariant reactions (literature)

Invariant reactions reported in the literature for the Pd–S system (12)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
1273	congruent melting: L -> PdS	L: S 0.5; PdS: S 0.5	model	[1] Hu 2010 cites Okamoto 1992 doi	Table 4, p. 5, row 11 report
1273	congruent melting: L -> PdS	L: S 0.5; PdS: S 0.5	model	[1] Hu 2010	Table 4, p. 5, row 12 report
1047	L + (Pd) -> Pd4S	L: S 0.205; (Pd): S 0; Pd4S: S 0.2	model	[1] Hu 2010 cites Okamoto 1992 doi	Table 4, p. 5, row 1 report
1047	L + (Pd) -> Pd4S	L: S 0.2037; (Pd): S 0; Pd4S: S 0.2037	model	[1] Hu 2010	Table 4, p. 5, row 2 report
919	L + Pd4S -> Pd3S	L: S 0.265; Pd4S: S 0.2; Pd3S: S 0.25	model	[1] Hu 2010 cites Okamoto 1992 doi	Table 4, p. 5, row 3 report
918.7	L + Pd4S -> Pd3S	L: S 0.2668; Pd4S: S 0.2; Pd3S: S 0.25	model	[1] Hu 2010	Table 4, p. 5, row 4 report
912	L + PdS -> Pd16S7	L: S 0.295; PdS: S 0.5; Pd16S7: S 0.304	model	[1] Hu 2010 cites Okamoto 1992 doi	Table 4, p. 5, row 9 report
911.8	L + PdS -> Pd16S7	L: S 0.2943; PdS: S 0.5; Pd16S7: S 0.304	model	[1] Hu 2010	Table 4, p. 5, row 10 report
898.3	eutectic: L -> Pd3S + Pd16S7	L: S 0.2789; Pd3S: S 0.25; Pd16S7: S 0.304	model	[1] Hu 2010	Table 4, p. 5, row 6 report
898	eutectic: L -> Pd3S + Pd16S7	L: S 0.28; Pd3S: S 0.25; Pd16S7: S 0.304	model	[1] Hu 2010 cites Okamoto 1992 doi	Table 4, p. 5, row 5 report
829	Pd3S -> Pd4S + Pd16S7	Pd3S: S 0.25; Pd4S: S 0.2; Pd16S7: S 0.304	model	[1] Hu 2010 cites Okamoto 1992 doi	Table 4, p. 5, row 7 report
828.9	Pd3S -> Pd4S + Pd16S7	Pd3S: S 0.25; Pd4S: S 0.2; Pd16S7: S 0.304	model	[1] Hu 2010	Table 4, p. 5, row 8 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–S system (20)
Phase	Value	T (K)	Class	Source	Location
Pd16S7	-36.601 per mol-atom	298.15	experimental	[1] Hu 2010 cites Taylor 1985 doi	Table 2, p. 2, row 10 report
Pd16S7	-29.5 per mol-atom	0	DFT	[1] Hu 2010	Table 2, p. 2, row 11 report
Pd16S7	-25.221 per mol-atom ± 1.574	298.15	experimental	[1] Hu 2010 cites Zubkov 1998 doi	Table 2, p. 2, row 9 report
Pd3S	-27.317 per mol-atom	298.15	experimental	[1] Hu 2010 cites Taylor 1985 doi	Table 2, p. 2, row 7 report
Pd3S	-25.4 per mol-atom	0	DFT	[1] Hu 2010	Table 2, p. 2, row 8 report
Pd3S	-24.125 per mol-atom ± 2.625	298.15	experimental	[1] Hu 2010 cites Zubkov 1998 doi	Table 2, p. 2, row 6 report
Pd4S	-25.74 per mol-atom	716.5	experimental	[1] Hu 2010 cites Niwa 1962 doi	Table 2, p. 2, row 3 report
Pd4S	-24.328 per mol-atom	298.15	experimental	[1] Hu 2010 cites Taylor 1985 doi	Table 2, p. 2, row 2 report
Pd4S	-22.8 per mol-atom	0	DFT	[1] Hu 2010	Table 2, p. 2, row 5 report
Pd4S	-19.84 per mol-atom ± 2.24	298.15	experimental	[1] Hu 2010 cites Zubkov 1998 doi	Table 2, p. 2, row 1 report
Pd4S	-12.7 per mol-atom	298.15	experimental	[1] Hu 2010 cites Niwa 1962 doi	Table 2, p. 2, row 4 report
PdS	-68.55 per mol-atom	716.5	experimental	[1] Hu 2010 cites Niwa 1962 doi	Table 2, p. 2, row 14 report
PdS	-43.175 per mol-atom	298.15	experimental	[1] Hu 2010 cites Taylor 1985 doi	Table 2, p. 2, row 13 report
PdS	-40.3 per mol-atom	0	DFT	[1] Hu 2010	Table 2, p. 2, row 16 report
PdS	-39.05 per mol-atom ± 5.5	298.15	experimental	[1] Hu 2010 cites Zubkov 1998 doi	Table 2, p. 2, row 12 report
PdS	-37.55 per mol-atom	298.15	experimental	[1] Hu 2010 cites Niwa 1962 doi	Table 2, p. 2, row 15 report
PdS2	-69.24 per mol-atom	716.5	experimental	[1] Hu 2010 cites Niwa 1962 doi	Table 2, p. 2, row 18 report
PdS2	-30.8 per mol-atom	0	DFT	[1] Hu 2010	Table 2, p. 2, row 20 report
PdS2	-29.24 per mol-atom	298.15	experimental	[1] Hu 2010 cites Niwa 1962 doi	Table 2, p. 2, row 19 report
PdS2	-26.067 per mol-atom ± 4.2	298.15	experimental	[1] Hu 2010 cites Kubaschewski 1993	Table 2, p. 2, row 17 report

Sources

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

Rongxiang Hu, Michael C. Gao, Ömer N. Doğan, Paul King, Michael Widom, Thermodynamic modeling of the Pd–S system supported by first-principles calculations, Calphad 34, 324-331 (2010). doi:10.1016/j.calphad.2010.07.002

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}
}