Cr1Ir2Li1
Cr1Ir2Li1 is a semiconducting ternary alloy containing chromium, iridium, and lithium that is studied for its unique structural properties within platinum-group catalyst research.
About Cr1Ir2Li1
Cr1Ir2Li1 is a complex ternary alloy categorized within the platinum-group metal systems. As a semiconducting material, it represents a unique electronic configuration that distinguishes it from the typical metallic behavior often associated with iridium-based alloys.
While the compound is currently identified as being above the thermodynamic hull, its existence in structural databases suggests it remains a subject of interest for fundamental materials research. Its specific arrangement of chromium, iridium, and lithium atoms provides a distinct template for investigating catalytic activity in unconventional electronic environments.
Key Properties
Cross-validated computational properties for Cr1Ir2Li1, 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 Cr1Ir2Li1, 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 | 0.20 | 2.8203 | -27.953 | 1.03 |
| Imm2 (No. 44) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Applications
Where Cr1Ir2Li1 is used.
Frequently Asked Questions
Common questions about Cr1Ir2Li1, answered from cross-validated data.
What is Cr1Ir2Li1?
Cr1Ir2Li1 is a semiconducting ternary alloy containing chromium, iridium, and lithium that is studied for its unique structural properties within platinum-group catalyst research.
What is Cr1Ir2Li1 used for?
What is the band gap of Cr1Ir2Li1?
Is Cr1Ir2Li1 a metal, semiconductor, or insulator?
Is Cr1Ir2Li1 thermodynamically stable?
What is the crystal structure of Cr1Ir2Li1?
What is the density of Cr1Ir2Li1?
How many polymorphs of Cr1Ir2Li1 are known?
What elements does Cr1Ir2Li1 contain?
Where does the data for Cr1Ir2Li1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike the more common and thermodynamically robust members of the platinum-group alloy class such as As2Ir or IrSe2, Cr1Ir2Li1 occupies a less stable position in the phase space, reflecting the challenges of incorporating light alkali metals like lithium into heavy transition metal matrices.
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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