Cd1Ir1Mg2
Cd1Ir1Mg2 is a metastable, semimetallic intermetallic alloy composed of cadmium, iridium, and magnesium, primarily studied for its potential in catalytic applications.
About Cd1Ir1Mg2
Cd1Ir1Mg2 is a complex intermetallic compound categorized within the platinum-group alloy catalysts. Characterized by a near-zero-gap electronic structure, this material exhibits semimetallic behavior that distinguishes it from traditional insulating or metallic catalysts. Its metastable nature suggests it occupies a unique position in phase space, requiring precise synthesis conditions to maintain its structural integrity.
As a member of a diverse family of platinum-group alloys, this compound is of significant interest for researchers investigating high-performance catalytic surfaces. Its specific stoichiometry involving cadmium, iridium, and magnesium allows for tunable electronic properties, which are essential for developing advanced materials capable of facilitating complex chemical transformations.
Key Properties
Cross-validated computational properties for Cd1Ir1Mg2, 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 Cd1Ir1Mg2, 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 | 0.0342 | -3.482 | 8.42 |
| Immm (No. 71) | orthorhombic | 0.09 | 2.0278 | -1.488 | 0.52 |
| Cmmm (No. 65) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where Cd1Ir1Mg2 is used.
Frequently Asked Questions
Common questions about Cd1Ir1Mg2, answered from cross-validated data.
What is Cd1Ir1Mg2?
Cd1Ir1Mg2 is a metastable, semimetallic intermetallic alloy composed of cadmium, iridium, and magnesium, primarily studied for its potential in catalytic applications.
What is Cd1Ir1Mg2 used for?
What is the band gap of Cd1Ir1Mg2?
Is Cd1Ir1Mg2 a metal, semiconductor, or insulator?
Is Cd1Ir1Mg2 thermodynamically stable?
What is the crystal structure of Cd1Ir1Mg2?
What is the density of Cd1Ir1Mg2?
How many polymorphs of Cd1Ir1Mg2 are known?
What elements does Cd1Ir1Mg2 contain?
Where does the data for Cd1Ir1Mg2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader family of platinum-group alloys, Cd1Ir1Mg2 represents a specialized case compared to more common binary phases like As2Ir or GeRu. While many of its siblings are characterized by well-defined stoichiometric stability, this compound stands out due to its metastable state, offering a distinct electronic landscape compared to the more conventional metallic or semimetallic behavior observed in compounds like BaPd.
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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