Ir1Mg1Y2
Ir1Mg1Y2 is a semimetallic ternary alloy containing iridium, magnesium, and yttrium that is primarily studied for its structural properties.
About Ir1Mg1Y2
Ir1Mg1Y2 is a complex intermetallic compound categorized within the platinum-group alloy catalyst class. Characterized by a near-zero-gap electronic structure, it exhibits semimetallic behavior that is of significant interest for fundamental studies in electronic transport and catalytic surface activity.
While this material has been documented across various structural configurations, it is considered thermodynamically unstable as it resides above the convex hull. This metastability suggests that while it may not be a primary candidate for bulk industrial applications, it remains a valuable subject for investigating phase formation and structural diversity in ternary alloy systems.
Key Properties
Cross-validated computational properties for Ir1Mg1Y2, 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 Ir1Mg1Y2, 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 | 0.04 | 2.5983 | -3.794 | 0.53 |
| P4mm (No. 99) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Ir1Mg1Y2 is used.
Frequently Asked Questions
Common questions about Ir1Mg1Y2, answered from cross-validated data.
What is Ir1Mg1Y2?
Ir1Mg1Y2 is a semimetallic ternary alloy containing iridium, magnesium, and yttrium that is primarily studied for its structural properties.
What is Ir1Mg1Y2 used for?
What is the band gap of Ir1Mg1Y2?
Is Ir1Mg1Y2 a metal, semiconductor, or insulator?
Is Ir1Mg1Y2 thermodynamically stable?
What is the crystal structure of Ir1Mg1Y2?
What is the density of Ir1Mg1Y2?
How many polymorphs of Ir1Mg1Y2 are known?
What elements does Ir1Mg1Y2 contain?
Where does the data for Ir1Mg1Y2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, Ir1Mg1Y2 stands out for its unique ternary composition compared to binary counterparts like As2Ir or P3Ru. Unlike the more stable binary phases, this compound represents a more complex structural challenge, reflecting the broader trend of increased instability often found in multicomponent alloys compared to their simpler, highly ordered siblings.
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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