Fe2Pt
Fe2Pt is a metallic iron-platinum alloy investigated for its potential role in catalytic material science.
About Fe2Pt
Fe2Pt is a metallic alloy composed of iron and platinum, belonging to the class of platinum-group alloy catalysts. Its electronic structure is characterized by metallic conductivity, reflecting the typical behavior of transition metal-based intermetallic systems. Despite its metallic nature, it is currently categorized as a metastable phase, as it resides above the thermodynamic hull. The compound has been the subject of extensive structural investigation, with numerous reported configurations across multiple databases, highlighting its complexity in solid-state chemistry. This material is primarily studied for its potential utility in catalytic applications where the synergistic effects of iron and platinum can be leveraged for specific chemical transformations. Its structural diversity makes it a compelling candidate for researchers exploring the limits of phase stability in binary metal alloys.
Key Properties
Cross-validated computational properties for Fe2Pt, 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 Fe2Pt. 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 Fe2Pt, 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. |
|---|---|---|---|---|---|
| P-3m1 (No. 164) | trigonal | 0.00 | 0.2620 | -7.563 | 13.68 |
| Cm (No. 8) | Monoclinic | — | — | — | 11.78 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 12.14 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 12.92 |
| Pm (No. 6) | Monoclinic | — | — | — | 12.51 |
| Pm (No. 6) | Monoclinic | — | — | — | 12.52 |
| P1 (No. 1) | Triclinic | — | — | — | 12.60 |
| C2/m (No. 12) | Monoclinic | — | — | — | 12.85 |
| C2/m (No. 12) | Monoclinic | — | — | — | 12.99 |
| Cm (No. 8) | Monoclinic | — | — | — | 13.57 |
| C2 (No. 5) | Monoclinic | — | — | — | 5.22 |
| C2 (No. 5) | Monoclinic | — | — | — | 5.90 |
Applications
Where Fe2Pt is used.
Frequently Asked Questions
Common questions about Fe2Pt, answered from cross-validated data.
What is Fe2Pt?
Fe2Pt is a metallic iron-platinum alloy investigated for its potential role in catalytic material science.
What is Fe2Pt used for?
What is the band gap of Fe2Pt?
Is Fe2Pt a metal, semiconductor, or insulator?
Is Fe2Pt thermodynamically stable?
What is the crystal structure of Fe2Pt?
What is the density of Fe2Pt?
How many polymorphs of Fe2Pt are known?
What elements does Fe2Pt contain?
Where does the data for Fe2Pt come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse group of platinum-group alloys, Fe2Pt occupies a distinct position compared to more stable counterparts like As2Pt or GeRu. While many members of this class exhibit robust thermodynamic stability, Fe2Pt is notable for its metastable character, suggesting that its synthesis and retention require precise control over processing conditions compared to the more readily formed members of the family.
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.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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