LiRhSr2
LiRhSr2 is a metastable, semiconducting ternary alloy composed of lithium, rhodium, and strontium that is studied for its unique electronic properties in catalytic applications.
About LiRhSr2
LiRhSr2 is a complex ternary alloy categorized within the platinum-group metal systems. As a semiconducting material, it represents a specialized electronic configuration that distinguishes it from the typical metallic behavior often associated with noble metal alloys. Its metastable nature suggests a unique structural landscape that requires precise synthesis conditions to stabilize its crystalline form.
This compound is of significant interest to materials scientists investigating the intersection of lithium-based chemistry and heavy transition metals. Its existence across multiple reported structures highlights its structural versatility, making it a subject of ongoing study for potential catalytic applications where specific electronic band structures are required to facilitate chemical transformations.
Key Properties
Cross-validated computational properties for LiRhSr2, aggregated across 3 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 LiRhSr2, 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 | 0.12 | 0.0977 | -14.244 | 4.41 |
| Immm (No. 71) | orthorhombic | 0.13 | 1.3789 | -12.963 | 0.36 |
| R-3m (No. 166) | — | — | — | — | — |
| — | — | — | — | — | 3.92 |
| — | — | — | — | — | 4.32 |
| — | — | — | — | — | 4.32 |
| — | — | — | — | — | 4.39 |
Applications
Where LiRhSr2 is used.
Frequently Asked Questions
Common questions about LiRhSr2, answered from cross-validated data.
What is LiRhSr2?
LiRhSr2 is a metastable, semiconducting ternary alloy composed of lithium, rhodium, and strontium that is studied for its unique electronic properties in catalytic applications.
What is LiRhSr2 used for?
What is the band gap of LiRhSr2?
Is LiRhSr2 a metal, semiconductor, or insulator?
Is LiRhSr2 thermodynamically stable?
What is the crystal structure of LiRhSr2?
What is the density of LiRhSr2?
How many polymorphs of LiRhSr2 are known?
What elements does LiRhSr2 contain?
Where does the data for LiRhSr2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader class of platinum-group alloy catalysts, LiRhSr2 occupies a distinct niche compared to more conventional binary systems like LaRh or BaPd. While many of its siblings exhibit metallic conductivity, LiRhSr2 is notable for its semiconducting character, which offers a different pathway for surface-mediated reactions compared to the highly conductive transition metal frameworks found in compounds like GeRu or Ga2Ru.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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