Ba2PdPt
Ba2PdPt is a semiconducting ternary intermetallic compound composed of barium, palladium, and platinum.
About Ba2PdPt
Ba2PdPt is a specialized intermetallic compound categorized within the platinum-group alloy catalysts. Characterized by its semiconducting electronic nature, this material represents a complex arrangement of barium with palladium and platinum, reflecting the intricate bonding behaviors found in heavy-metal alloy systems.
While the compound is currently identified as being above the thermodynamic hull, it remains a subject of interest in materials science due to its unique structural configurations. Its existence across multiple databases highlights its role as a focal point for researchers investigating the stability and potential catalytic utility of ternary barium-based platinum-group alloys.
Key Properties
Cross-validated computational properties for Ba2PdPt, 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 Ba2PdPt, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 1.03 | 1.3199 | -3.101 | 0.69 |
| — | — | — | — | — | 7.99 |
| Pmm2 (No. 25) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
Applications
Where Ba2PdPt is used.
Frequently Asked Questions
Common questions about Ba2PdPt, answered from cross-validated data.
What is Ba2PdPt?
Ba2PdPt is a semiconducting ternary intermetallic compound composed of barium, palladium, and platinum.
What is Ba2PdPt used for?
What is the band gap of Ba2PdPt?
Is Ba2PdPt a metal, semiconductor, or insulator?
Is Ba2PdPt thermodynamically stable?
What is the crystal structure of Ba2PdPt?
What is the density of Ba2PdPt?
How many polymorphs of Ba2PdPt are known?
What elements does Ba2PdPt contain?
Where does the data for Ba2PdPt come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the class of platinum-group alloy catalysts, Ba2PdPt occupies a distinct position compared to more stable or common binary phases like BaPd or GeRu. Unlike these more robust counterparts, Ba2PdPt exhibits a higher degree of thermodynamic complexity, positioning it as a specialized, metastable candidate for fundamental studies into electronic structure modulation in ternary 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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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