PdSeS
PdSeS is a semiconducting ternary compound containing palladium, selenium, and sulfur that is considered a viable candidate for experimental synthesis.
About PdSeS
PdSeS is a ternary palladium chalcogenide that exhibits semiconducting electronic behavior. Its composition balances sulfur and selenium within a palladium-based framework, positioning it as a material of interest for specialized electronic and optoelectronic research.
As a near-hull compound, PdSeS is considered thermodynamically accessible and likely synthesizable under controlled conditions. Its structural diversity, evidenced by multiple reported configurations, suggests a flexible lattice capable of accommodating different atomic arrangements.
Key Properties
Cross-validated computational properties for PdSeS, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for PdSeS, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 0.37 | 0.0117 | -15.423 | 5.33 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.03 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.74 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.21 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.41 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 5.03 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 5.15 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 5.16 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.30 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.13 |
| P212121 (No. 19) | — | — | — | — | — |
Applications
Where PdSeS is used.
Frequently Asked Questions
Common questions about PdSeS, answered from cross-validated data.
What is PdSeS?
PdSeS is a semiconducting ternary compound containing palladium, selenium, and sulfur that is considered a viable candidate for experimental synthesis.
What is PdSeS used for?
What is the band gap of PdSeS?
Is PdSeS a metal, semiconductor, or insulator?
Is PdSeS thermodynamically stable?
What is the crystal structure of PdSeS?
What is the density of PdSeS?
How many polymorphs of PdSeS are known?
What elements does PdSeS contain?
Where does the data for PdSeS come from?
How It Compares
As a ternary chalcogenide, PdSeS represents a distinct compositional variation within the broader family of palladium-based semiconductors, offering a tunable alternative to binary palladium sulfides or selenides by integrating both anions into a single crystalline structure.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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