Pt2W
Pt2W is a thermodynamically stable metallic intermetallic compound used in the development of platinum-group alloy catalysts.
About Pt2W
Pt2W is a metallic intermetallic compound belonging to the platinum-group alloy catalyst class. As a thermodynamically stable phase located on the convex hull, it exhibits robust structural integrity, which is a critical requirement for materials subjected to harsh catalytic environments. The compound is supported by extensive structural data across multiple databases, highlighting its significance in materials science research. Its metallic nature suggests high electrical conductivity, making it a candidate for electrochemical applications where efficient electron transfer is essential. The stability of this alloy ensures that it maintains its phase identity under various processing conditions, providing a reliable platform for studying surface-active catalytic processes.
Key Properties
Cross-validated computational properties for Pt2W, 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.
Reported Structures
Lowest-energy structures reported for Pt2W, 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 | 0.00 | 0.0000 | -51.797 | 20.88 |
| Immm (No. 71) | — | — | — | — | — |
| Fmmm (No. 69) | Orthorhombic | — | — | — | 16.40 |
| C2/m (No. 12) | Monoclinic | — | — | — | 21.37 |
| Fmmm (No. 69) | Orthorhombic | — | — | — | 17.82 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 17.70 |
| Immm (No. 71) | — | — | — | — | — |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 14.36 |
| Cmm2 (No. 35) | Orthorhombic | — | — | — | 19.42 |
| Immm (No. 71) | Orthorhombic | — | — | — | 22.31 |
| — | — | — | — | — | 20.24 |
| Immm (No. 71) | Orthorhombic | — | — | — | 20.45 |
Applications
Where Pt2W is used.
Frequently Asked Questions
Common questions about Pt2W, answered from cross-validated data.
What is Pt2W?
Pt2W is a thermodynamically stable metallic intermetallic compound used in the development of platinum-group alloy catalysts.
What is Pt2W used for?
What is the band gap of Pt2W?
Is Pt2W a metal, semiconductor, or insulator?
Is Pt2W thermodynamically stable?
What is the crystal structure of Pt2W?
What is the density of Pt2W?
How many polymorphs of Pt2W are known?
What elements does Pt2W contain?
Where does the data for Pt2W come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse group of platinum-group alloys, Pt2W distinguishes itself through its high thermodynamic stability compared to more complex or metastable phases like Ga2Ru or GeRu. While many members of this class, such as As2Pt or IrSe2, are investigated for their specific electronic properties, Pt2W serves as a fundamental metallic alloy that offers a stable baseline for catalytic activity studies.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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