CrPd
CrPd is a metallic binary alloy of chromium and palladium often studied for its structural properties within the field of platinum-group catalysts.
About CrPd
CrPd is a metallic binary alloy composed of chromium and palladium. As a member of the platinum-group alloy family, it serves as a subject of interest for researchers investigating the interplay between transition metals and their catalytic potential in various chemical environments.
Despite its status as a thermodynamically metastable phase, CrPd has been extensively documented across multiple structural databases. Its metallic nature and complex structural diversity make it a notable candidate for fundamental studies into the electronic properties of transition metal alloys.
Key Properties
Cross-validated computational properties for CrPd, aggregated across 5 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CrPd. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for CrPd, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.00 | 0.3136 | -18.788 | 9.66 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 4.34 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 8.15 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 8.40 |
| P213 (No. 198) | Cubic | — | — | — | 8.87 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 8.10 |
| P213 (No. 198) | Cubic | — | — | — | 8.07 |
| P213 (No. 198) | Cubic | — | — | — | 8.49 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.49 |
| Cm (No. 8) | Monoclinic | — | — | — | 7.72 |
| P1 (No. 1) | Triclinic | — | — | — | 7.52 |
| P2 (No. 3) | Monoclinic | — | — | — | 3.79 |
Applications
Where CrPd is used.
Frequently Asked Questions
Common questions about CrPd, answered from cross-validated data.
What is CrPd?
CrPd is a metallic binary alloy of chromium and palladium often studied for its structural properties within the field of platinum-group catalysts.
What is CrPd used for?
What is the band gap of CrPd?
Is CrPd a metal, semiconductor, or insulator?
Is CrPd thermodynamically stable?
What is the crystal structure of CrPd?
What is the density of CrPd?
How many polymorphs of CrPd are known?
What elements does CrPd contain?
Where does the data for CrPd come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more thermodynamically stable platinum-group compounds such as GeRu or IrSe2, CrPd exists as a metastable phase located above the hull. While it shares the metallic character common to its class, its structural configuration is distinct from the more robust intermetallic phases like BaPd, reflecting the unique challenges in stabilizing chromium-palladium systems.
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).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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