Cs2Pd3Se4
Cs2Pd3Se4 is a stable, semiconducting inorganic compound composed of cesium, palladium, and selenium.
About Cs2Pd3Se4
Cs2Pd3Se4 is a distinct semiconducting compound within the platinum-group alloy catalyst family. Its position on the thermodynamic convex hull highlights its inherent stability, making it a reliable subject for structural and electronic investigations in solid-state chemistry.
This material is primarily utilized in research contexts where its specific semiconducting behavior and palladium-based framework can be leveraged. It serves as a valuable model for understanding how alkali metals like cesium modulate the electronic environment of transition metal chalcogenides.
Key Properties
Cross-validated computational properties for Cs2Pd3Se4, 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 Cs2Pd3Se4, 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. |
|---|---|---|---|---|---|
| Fmmm (No. 69) | orthorhombic | 0.99 | 0.0000 | -20.457 | 5.61 |
| Fmmm (No. 69) | — | — | — | — | — |
| Fmmm (No. 69) | — | — | — | — | — |
| Fmmm (No. 69) | — | — | — | — | — |
Applications
Where Cs2Pd3Se4 is used.
Frequently Asked Questions
Common questions about Cs2Pd3Se4, answered from cross-validated data.
What is Cs2Pd3Se4?
Cs2Pd3Se4 is a stable, semiconducting inorganic compound composed of cesium, palladium, and selenium.
What is Cs2Pd3Se4 used for?
What is the band gap of Cs2Pd3Se4?
Is Cs2Pd3Se4 a metal, semiconductor, or insulator?
Is Cs2Pd3Se4 thermodynamically stable?
What is the crystal structure of Cs2Pd3Se4?
What is the density of Cs2Pd3Se4?
How many polymorphs of Cs2Pd3Se4 are known?
What elements does Cs2Pd3Se4 contain?
Where does the data for Cs2Pd3Se4 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike metallic counterparts such as BaPd or LaRh, Cs2Pd3Se4 exhibits a clear semiconducting character. While many members of this class, including IrSe2, focus on high-conductivity catalytic surfaces, this compound provides a stable, non-metallic alternative that broadens the structural diversity of the platinum-group alloy group.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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