Thermodynamic modeling of the Pd–S system supported by first-principles calculations

Rongxiang Hu, Michael C. Gao, Ömer N. Doğan, Paul King, Michael Widom

Calphad 34 (3) 324-331 (2010) · Elsevier BV

DOI: 10.1016/j.calphad.2010.07.002

Data: JSON record · id doi:10.1016/j.calphad.2010.07.002 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 417 released values
• assessment behind a TDB file: PdS-10Hu.tdb (Pd–S)

Systems

S, Pd–S

Evidence in ORCHID

417 values read from this paper (414 accepted), from 3 tables and 2 text passages.

Phase-registry phases citing it: phase:pd-s:a16-orthorhombic, phase:pd-s:bcc-a2, phase:pd-s:fcc-a1, phase:pd-s:hcp-a3, phase:pd-s:liquid, phase:pd-s:pd16s7, phase:pd-s:pd3s, phase:pd-s:pd4s, phase:pd-s:pds-b34, phase:pd-s:s-monoclinic

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 10 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (4)

• Phase Equilibria and Thermodynamic Properties of Functional Chalcogenides in the Ag–Pd–Ge–S System (2026) [crossref_reference_list]
• Thermodynamic modeling and first-principles calculations of the Mo–O system (2014) [crossref_reference_list]
• The SGTE collection of binary datasets (2025) [crossref_reference_list]
• First principles modeling of the temperature dependent ternary phase diagram for the Cu–Pd–S system (2014) [crossref_reference_list]

References (Crossref, publisher-deposited) (23)

• Enthalpies of formation of the palladium sulphides (1998) [crossref_reference_list]
• Pd-s (palladium-sulfur) (1992) [crossref_reference_list]
• Phase relationships and thermodynamic properties of the Pd-S system (1985) [crossref_reference_list]
• Kristallstruktur von Pd16S7 (1976) [crossref_reference_list]
• The Thermo-Calc databank system (1985) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• First-principles calculation of structural energetics of Al–TM (TM=Ti, Zr, Hf) intermetallics (2005) [crossref_reference_list]
• Ab initio lattice stability in comparison with CALPHAD lattice stability (2004) [crossref_reference_list]
• Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys (2005) [crossref_reference_list]
• Ab initio lattice stabilities of some elemental complex structures (2006) [crossref_reference_list]
• Algebraic Representation of Thermodynamic Properties and the Classification of Solutions (1948) [crossref_reference_list]
• The Crystal Structure of Monoclinic (β) Sulfur (1965) [crossref_reference_list]
• Special points for Brillouin-zone integrations (1976) [crossref_reference_list]
• Efficient iterative schemes for <i>ab initio</i> total-energy calculations using a plane-wave basis set (1996) [crossref_reference_list]
• Generalized Gradient Approximation Made Simple (1996) [crossref_reference_list]
• Refinement of the structure of orthorhombic sulfur, α-S8 (1987) [crossref_reference_list]
• The lattice of rhombohedral sulfur (1955) [crossref_reference_list]
• The crystal structure of PdSe2 and PdS2 (1957) [crossref_reference_list]
• The crystal structures of Pd₄Se and Pd₄S (1962) [crossref_reference_list]
• The crystal structure of monoclinic γ-sulphur (1974) [crossref_reference_list]
• Equilibria in the PdS–H2–Pd4S–H2S and Pd4S–H2–Pd–H2S Systems (1962) [crossref_reference_list]
• X-ray Structural Analyses of Two Allotropes of Cycloheptasulfur ( γ and δ-S₇ ) [1] (1980) [crossref_reference_list]
• On the Sulfides, Selenides, and Tellurides of Palladium. (1956) [crossref_reference_list]

Cites (values carry this citation) (10)

• X-ray Structural Analyses of Two Allotropes of Cycloheptasulfur ( γ and δ-S₇ ) [1] (1980) — 8 values [orchid_extraction]
• Pd-s (palladium-sulfur) (1992) — 6 values [orchid_extraction]
• Equilibria in the PdS–H2–Pd4S–H2S and Pd4S–H2–Pd–H2S Systems (1962) — 6 values [orchid_extraction]
• Enthalpies of formation of the palladium sulphides (1998) — 4 values [orchid_extraction]
• Phase relationships and thermodynamic properties of the Pd-S system (1985) — 4 values [orchid_extraction]
• The Crystal Structure of Monoclinic (β) Sulfur (1965) — 4 values [orchid_extraction]
• The crystal structure of monoclinic γ-sulphur (1974) — 4 values [orchid_extraction]
• Refinement of the structure of orthorhombic sulfur, α-S8 (1987) — 3 values [orchid_extraction]
• Kristallstruktur von Pd16S7 (1976) — 2 values [orchid_extraction]
• The lattice of rhombohedral sulfur (1955) — 2 values [orchid_extraction]

TDB files modelling its system (2)

• tdb:PdS-10Hu.tdb [orchid_literature_model_link]
• tdb:PdS-10Hu.tdb [sgte_tdb_header]

Data papers used (10)

• X-ray Structural Analyses of Two Allotropes of Cycloheptasulfur ( γ and δ-S₇ ) [1] (1980) — 8 values [orchid_extraction]
• Pd-s (palladium-sulfur) (1992) — 6 values [orchid_extraction]
• Equilibria in the PdS–H2–Pd4S–H2S and Pd4S–H2–Pd–H2S Systems (1962) — 6 values [orchid_extraction]
• Enthalpies of formation of the palladium sulphides (1998) — 4 values [orchid_extraction]
• Phase relationships and thermodynamic properties of the Pd-S system (1985) — 4 values [orchid_extraction]
• The Crystal Structure of Monoclinic (β) Sulfur (1965) — 4 values [orchid_extraction]
• The crystal structure of monoclinic γ-sulphur (1974) — 4 values [orchid_extraction]
• Refinement of the structure of orthorhombic sulfur, α-S8 (1987) — 3 values [orchid_extraction]
• Kristallstruktur von Pd16S7 (1976) — 2 values [orchid_extraction]
• The lattice of rhombohedral sulfur (1955) — 2 values [orchid_extraction]