Li3RhF6
Li3RhF6 is a metastable, semiconducting fluoride material containing rhodium that is studied for its unique structural and electronic properties.
About Li3RhF6
Li3RhF6 is a semiconducting fluoride compound that represents a specialized entry within the broader category of platinum-group alloy catalysts. Its existence as a metastable phase highlights the complex synthesis pathways required to stabilize such complex inorganic frameworks.
This material is primarily of interest to researchers investigating the electronic behavior of transition metal fluorides. By exploring its structural diversity, scientists aim to better understand the catalytic potential and chemical stability of rhodium-based systems in advanced material applications.
Key Properties
Cross-validated computational properties for Li3RhF6, 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 Li3RhF6, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.90 | 0.0972 | -7.546 | 2.90 |
| P-1 (No. 2) | triclinic | 1.66 | 0.1627 | -7.480 | 1.54 |
| Fm-3m (No. 225) | cubic | 1.88 | 0.1852 | -7.458 | 3.23 |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.23 |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.39 |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.34 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.90 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.54 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.09 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.61 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.03 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.59 |
Applications
Where Li3RhF6 is used.
Frequently Asked Questions
Common questions about Li3RhF6, answered from cross-validated data.
What is Li3RhF6?
Li3RhF6 is a metastable, semiconducting fluoride material containing rhodium that is studied for its unique structural and electronic properties.
What is Li3RhF6 used for?
What is the band gap of Li3RhF6?
Is Li3RhF6 a metal, semiconductor, or insulator?
Is Li3RhF6 thermodynamically stable?
What is the crystal structure of Li3RhF6?
What is the density of Li3RhF6?
How many polymorphs of Li3RhF6 are known?
What elements does Li3RhF6 contain?
Where does the data for Li3RhF6 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more conventional metallic platinum-group alloys such as LaRh or GeRu, Li3RhF6 incorporates fluorine, which fundamentally alters its electronic character from metallic to semiconducting. While its siblings often function as robust catalysts in industrial processes, this compound serves as a distinct, metastable structural study within the class.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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