Ir1Os1Sc2
Ir1Os1Sc2 is a semiconducting ternary alloy composed of iridium, osmium, and scandium that is being investigated for its potential in catalytic material science.
About Ir1Os1Sc2
Ir1Os1Sc2 is a complex ternary alloy featuring iridium, osmium, and scandium. As a member of the platinum-group alloy catalyst class, it exhibits semiconducting electronic properties that distinguish it from the typical metallic behavior found in many related noble metal systems. Its structural configuration suggests it is a viable candidate for experimental synthesis.
The material is considered thermodynamically stable, positioning it as a promising subject for research into advanced catalytic materials. Its unique composition leverages the chemical versatility of platinum-group elements combined with scandium to potentially tune surface reactivity for specific chemical transformations.
Key Properties
Cross-validated computational properties for Ir1Os1Sc2, 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 Ir1Os1Sc2, 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 | 0.0035 | -8.897 | 11.85 |
| Immm (No. 71) | orthorhombic | 0.49 | 3.2962 | -5.604 | 0.95 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Ir1Os1Sc2 is used.
Frequently Asked Questions
Common questions about Ir1Os1Sc2, answered from cross-validated data.
What is Ir1Os1Sc2?
Ir1Os1Sc2 is a semiconducting ternary alloy composed of iridium, osmium, and scandium that is being investigated for its potential in catalytic material science.
What is Ir1Os1Sc2 used for?
What is the band gap of Ir1Os1Sc2?
Is Ir1Os1Sc2 a metal, semiconductor, or insulator?
Is Ir1Os1Sc2 thermodynamically stable?
What is the crystal structure of Ir1Os1Sc2?
What is the density of Ir1Os1Sc2?
How many polymorphs of Ir1Os1Sc2 are known?
What elements does Ir1Os1Sc2 contain?
Where does the data for Ir1Os1Sc2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, Ir1Os1Sc2 stands out for its semiconducting nature, contrasting with more common metallic siblings like LaRh or BaPd. While many members of this class are explored for their conductive properties, this compound offers a distinct electronic profile that may provide unique advantages in selective catalysis compared to more traditional phases like As2Ir or GeRu.
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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