AsPPt
AsPPt is a semiconducting ternary alloy composed of arsenic, phosphorus, and platinum that is considered a viable candidate for synthesis and catalytic research.
About AsPPt
AsPPt is a semiconducting ternary compound within the platinum-group alloy catalyst family. Its electronic properties and structural configuration make it a subject of interest for researchers exploring new pathways in materials design and catalytic efficiency. Being a near-hull material, it is considered a strong candidate for experimental synthesis in laboratory settings.
This compound represents an intriguing intersection of pnictogen elements and platinum-group metals. Its potential utility lies in its ability to bridge the gap between traditional metallic catalysts and semiconducting materials, offering unique surface reactivity profiles for advanced chemical processes.
Key Properties
Cross-validated computational properties for AsPPt, 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 AsPPt, 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. |
|---|---|---|---|---|---|
| P213 (No. 198) | cubic | 0.80 | 0.0173 | -25.747 | 9.68 |
| — | — | — | — | — | 9.60 |
| Pm (No. 6) | Monoclinic | — | — | — | 11.55 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 8.14 |
| Pm (No. 6) | Monoclinic | — | — | — | 9.94 |
Applications
Where AsPPt is used.
Frequently Asked Questions
Common questions about AsPPt, answered from cross-validated data.
What is AsPPt?
AsPPt is a semiconducting ternary alloy composed of arsenic, phosphorus, and platinum that is considered a viable candidate for synthesis and catalytic research.
What is AsPPt used for?
What is the band gap of AsPPt?
Is AsPPt a metal, semiconductor, or insulator?
Is AsPPt thermodynamically stable?
What is the crystal structure of AsPPt?
What is the density of AsPPt?
How many polymorphs of AsPPt are known?
What elements does AsPPt contain?
Where does the data for AsPPt come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, AsPPt occupies a distinct niche compared to binary counterparts like As2Pt or GeRu. While many members of this class exhibit metallic behavior, the semiconducting nature of AsPPt sets it apart, potentially offering superior selectivity in specific catalytic applications where electronic band control is paramount.
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).
- mpaloe — Data from mpaloe.
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