Ca2F8Pd2
Ca2F8Pd2 is a semiconducting platinum-group alloy catalyst that is thermodynamically stable enough to be synthesized for research applications.
About Ca2F8Pd2
Ca2F8Pd2 is a specialized semiconducting material within the platinum-group alloy catalyst class. Its unique electronic structure and near-hull thermodynamic stability suggest it is a viable candidate for synthesis and further experimental characterization in complex chemical environments. The compound represents a distinct structural arrangement of calcium, fluorine, and palladium. By leveraging its semiconducting nature, researchers explore this material for its potential to facilitate specific catalytic pathways where traditional metallic conductors may not be optimal.
Key Properties
Cross-validated computational properties for Ca2F8Pd2, 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 Ca2F8Pd2, 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. |
|---|---|---|---|---|---|
| I4/mcm (No. 140) | tetragonal | 1.16 | 0.0015 | -9.883 | 4.58 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0673 | -9.817 | 4.35 |
| — | — | — | — | — | 3.67 |
| — | — | — | — | — | 4.35 |
| I4/mcm (No. 140) | — | — | — | — | — |
Applications
Where Ca2F8Pd2 is used.
Frequently Asked Questions
Common questions about Ca2F8Pd2, answered from cross-validated data.
What is Ca2F8Pd2?
Ca2F8Pd2 is a semiconducting platinum-group alloy catalyst that is thermodynamically stable enough to be synthesized for research applications.
What is Ca2F8Pd2 used for?
What is the band gap of Ca2F8Pd2?
Is Ca2F8Pd2 a metal, semiconductor, or insulator?
Is Ca2F8Pd2 thermodynamically stable?
What is the crystal structure of Ca2F8Pd2?
What is the density of Ca2F8Pd2?
How many polymorphs of Ca2F8Pd2 are known?
What elements does Ca2F8Pd2 contain?
Where does the data for Ca2F8Pd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloy catalysts, Ca2F8Pd2 occupies a niche position compared to more conventional binary systems like BaPd or LaRh. While many members of this class are characterized by metallic behavior, the semiconducting nature of this compound offers a different electronic profile for surface-mediated reactions, distinguishing it from the more standard intermetallic compounds such as GeRu or Ga2Ru.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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