HfPt
HfPt is a thermodynamically stable metallic alloy composed of hafnium and platinum, primarily utilized in research involving advanced catalytic materials.
About HfPt
HfPt is a metallic intermetallic compound belonging to the platinum-group alloy catalyst class. Its status on the convex hull confirms it as a thermodynamically stable phase, making it a robust candidate for materials research where structural integrity is paramount. The compound exhibits significant structural diversity, as evidenced by the high volume of reported configurations across major materials databases. This extensive data availability underscores its importance in understanding transition metal bonding and catalytic surface behavior. Because of its metallic nature, HfPt is primarily investigated for its potential in electrochemical applications and as a precursor for specialized catalytic surfaces. Its stability allows it to maintain its phase under various processing conditions, providing a reliable baseline for researchers studying the synergy between hafnium and platinum in complex alloy systems.
Key Properties
Cross-validated computational properties for HfPt, aggregated across 4 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 HfPt. 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 HfPt, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0000 | -49.580 | 16.74 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.1726 | -49.408 | 16.80 |
| Pmma (No. 51) | Orthorhombic | — | — | — | 12.40 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 15.77 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 8.85 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 15.16 |
| Pm (No. 6) | Monoclinic | — | — | — | 8.36 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 11.16 |
| C2 (No. 5) | Monoclinic | — | — | — | 13.18 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 18.08 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 14.04 |
| Pm (No. 6) | Monoclinic | — | — | — | 11.02 |
Applications
Where HfPt is used.
Frequently Asked Questions
Common questions about HfPt, answered from cross-validated data.
What is HfPt?
HfPt is a thermodynamically stable metallic alloy composed of hafnium and platinum, primarily utilized in research involving advanced catalytic materials.
What is HfPt used for?
What is the band gap of HfPt?
Is HfPt a metal, semiconductor, or insulator?
Is HfPt thermodynamically stable?
What is the crystal structure of HfPt?
What is the density of HfPt?
How many polymorphs of HfPt are known?
What elements does HfPt contain?
Where does the data for HfPt come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse group of platinum-group alloys, HfPt stands out for its thermodynamic stability compared to more complex or metastable phases like As2Ir or Ga2Ru. While many members of this class, such as BaPd or LaRh, are studied for specific electronic or magnetic properties, HfPt is frequently highlighted for its structural versatility and its role as a stable binary benchmark in the broader family of transition metal alloys.
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.
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