Fe1Ga1Ru2
Fe1Ga1Ru2 is a thermodynamically stable, semimetallic platinum-group alloy used in advanced catalytic materials research.
About Fe1Ga1Ru2
Fe1Ga1Ru2 is a thermodynamically stable intermetallic compound belonging to the platinum-group alloy catalyst family. Its electronic structure is characterized as near-zero-gap, placing it in the semimetallic regime which often dictates unique catalytic behavior and electron transport properties.
As a material residing on the convex hull, it exhibits significant structural robustness. With numerous reported structures, it serves as a critical model for understanding how transition metal combinations influence the stability and reactivity of complex alloy systems in industrial catalysis.
Key Properties
Cross-validated computational properties for Fe1Ga1Ru2, aggregated across 2 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 Fe1Ga1Ru2, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -7.670 | 10.31 |
| Immm (No. 71) | orthorhombic | 0.01 | 3.2765 | -4.393 | 0.68 |
| Amm2 (No. 38) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
Applications
Where Fe1Ga1Ru2 is used.
Frequently Asked Questions
Common questions about Fe1Ga1Ru2, answered from cross-validated data.
What is Fe1Ga1Ru2?
Fe1Ga1Ru2 is a thermodynamically stable, semimetallic platinum-group alloy used in advanced catalytic materials research.
What is Fe1Ga1Ru2 used for?
What is the band gap of Fe1Ga1Ru2?
Is Fe1Ga1Ru2 a metal, semiconductor, or insulator?
Is Fe1Ga1Ru2 thermodynamically stable?
What is the crystal structure of Fe1Ga1Ru2?
What is the density of Fe1Ga1Ru2?
How many polymorphs of Fe1Ga1Ru2 are known?
What elements does Fe1Ga1Ru2 contain?
Where does the data for Fe1Ga1Ru2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, Fe1Ga1Ru2 stands out for its specific ternary composition compared to binary counterparts like Ga2Ru or GeRu. While many members of this class are explored for their distinct electronic signatures, this compound's placement on the convex hull highlights a level of thermodynamic stability that makes it a compelling subject for comparative studies against other transition-metal-rich catalysts.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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