Pd–Sc system

9 accepted literature values from 1 paper(s) (model 9); 1 calculated phase diagram(s).

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (9) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
model	9

Accepted values by property group
Property group	Values
formation	7
heat capacity / entropy / enthalpy	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
PdSc-02Du.tdb	Z. Du, C. Li, L. Lu, Z. Metallkd., 93, 277-80(2002). doi:10.3139/146.020277	`63a13cc650067f3a320c12c6072729e5e1185cd540abf9504938b019c918cded`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
PdSc-02Du.tdb	1722.69	FCC_A1 (x(Sc) 0.14915) + LIQUID (x(Sc) 0.17997) + PD3SC_L12 (x(Sc) 0.25)
PdSc-02Du.tdb	1702.45	PD3SC_L12 (x(Sc) 0.25) + PD2SC (x(Sc) 0.33333) + LIQUID (x(Sc) 0.33672)
PdSc-02Du.tdb	1702.45	PD3SC_L12 (x(Sc) 0.25) + PD2SC (x(Sc) 0.33333) + LIQUID (x(Sc) 0.33643)
PdSc-02Du.tdb	1687.38	PD2SC (x(Sc) 0.33333) + LIQUID (x(Sc) 0.37235) + PDSC_B2 (x(Sc) 0.50006)
PdSc-02Du.tdb	1687.38	PD2SC (x(Sc) 0.33333) + LIQUID (x(Sc) 0.37227) + PDSC_B2 (x(Sc) 0.50006)
PdSc-02Du.tdb	1608	LIQUID (x(Sc) 0.9335) + BCC_A2 (x(Sc) 1) + HCP_A3 (x(Sc) 1)
PdSc-02Du.tdb	1608	LIQUID (x(Sc) 0.93357) + HCP_A3 (x(Sc) 1) + BCC_A2 (x(Sc) 1)
PdSc-02Du.tdb	1472.82	PDSC_B2 (x(Sc) 0.50869) + PDSC2 (x(Sc) 0.66667) + LIQUID (x(Sc) 0.69881)
PdSc-02Du.tdb	1312.84	PDSC2 (x(Sc) 0.66667) + PDSC4 (x(Sc) 0.8) + LIQUID (x(Sc) 0.80266)
PdSc-02Du.tdb	1312.83	PDSC2 (x(Sc) 0.66667) + PDSC4 (x(Sc) 0.8) + LIQUID (x(Sc) 0.80291)
PdSc-02Du.tdb	1312.83	PDSC2 (x(Sc) 0.66667) + PDSC4 (x(Sc) 0.8) + LIQUID (x(Sc) 0.80297)
PdSc-02Du.tdb	1273.15	PDSC4 (x(Sc) 0.8) + LIQUID (x(Sc) 0.86669) + HCP_A3 (x(Sc) 1)
PdSc-02Du.tdb	1273.15	PDSC4 (x(Sc) 0.8) + LIQUID (x(Sc) 0.86682) + HCP_A3 (x(Sc) 1)
PdSc-02Du.tdb	1273.15	PDSC4 (x(Sc) 0.8) + LIQUID (x(Sc) 0.86682) + HCP_A3 (x(Sc) 1)

Convex hulls: Materials Project DFT hull · OQMD DFT hull

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–Sc system (3)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
Pd2Sc	Pd2Sc	-84.788 kJ/mol-atom	298.15	model		-85.935 (oqmd-1339201)	[1] Kardellass 2020 cites Du 2002	Table 3, p. 5, row 59 report
Pd3Sc	Pd3Sc	-82.174 kJ/mol-atom	298.15	model	-82.551 (mp-aaaaadyz)	-82.436 (oqmd-17945)	[1] Kardellass 2020 cites Du 2002	Table 3, p. 5, row 1 report
PdSc	PdSc	-89.25 kJ/mol-atom	298.15	model	-87.586 (mp-aaaaaecz)	-87.551 (oqmd-17944)	[1] Kardellass 2020 cites Du 2002	Table 3, p. 5, row 21 report

Other properties

Formation (4)

Formation, Pd–Sc system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Entropy of formation	13.61 J/mol-atom/K	298.15	PdSc alloy: Pd 0.5, Sc 0.5	model	[1] Kardellass 2020 cites Du 2002	Table 3, p. 5, row 21 report
Gibbs energy of formation printed: ΔfG	-89.6106 kJ/mol-atom	298.15	Pd2Sc alloy: Pd 0.666667, Sc 0.333333	model	[1] Kardellass 2020 cites Du 2002	Table 3, p. 5, row 59 report
Gibbs energy of formation printed: Gibbs free energy of formation	-87.5794 kJ/mol-atom	298.15	Pd3Sc alloy: Pd 0.75, Sc 0.25	model	[1] Kardellass 2020 cites Du 2002	Table 3, p. 5, row 1 report
Gibbs energy of formation printed: ΔfG	-93.3078 kJ/mol-atom	298.15	PdSc alloy: Pd 0.5, Sc 0.5	model	[1] Kardellass 2020 cites Du 2002	Table 3, p. 5, row 21 report

Heat capacity / entropy / enthalpy (2)

Heat capacity / entropy / enthalpy, Pd–Sc system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Entropy printed: ΔfS	16.175 J/mol-atom/K	298.15	Pd2Sc alloy: Pd 0.666667, Sc 0.333333	model	[1] Kardellass 2020 cites Du 2002	Table 3, p. 5, row 59 report
Entropy printed: Entropy of formation	18.13 J/mol-atom/K	298.15	Pd3Sc alloy: Pd 0.75, Sc 0.25	model	[1] Kardellass 2020 cites Du 2002	Table 3, p. 5, row 1 report

Sources

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

Said Kardellass, Colette Servant, Isabelle Drouelle, Fatima Zahra Chrifi-Alaoui, Mohamed Idbenali, Alyen Abahazem et al., Calphad-type assessment of the Pd-Yb binary system supported by first-principles calculations – Part II: Results, Materials Today: Proceedings 24, 140-150 (2020). doi:10.1016/j.matpr.2019.08.196

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}
}