K3RhF6
K3RhF6 is a thermodynamically stable, semiconducting fluoride compound belonging to the platinum-group alloy catalyst class.
About K3RhF6
K3RhF6 is a thermodynamically stable compound that occupies a distinct position within the platinum-group alloy catalyst family. As a semiconducting material, it exhibits electronic characteristics that differentiate it from the metallic nature typically associated with this broader class of compounds.
Its presence on the convex hull underscores its structural robustness, making it a subject of interest for researchers investigating stable fluoride-based systems. The material is characterized by a significant degree of structural data, reflecting its importance in fundamental materials science studies.
Key Properties
Cross-validated computational properties for K3RhF6, 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 K3RhF6, 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 | 2.18 | 0.0000 | -4.821 | 3.23 |
| C2/m (No. 12) | monoclinic | 2.06 | 0.0232 | -4.798 | 2.08 |
| P-1 (No. 2) | triclinic | 2.08 | 0.0240 | -4.797 | 2.04 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.08 |
| R-3m (No. 166) | Trigonal | — | — | — | 2.18 |
| R-3m (No. 166) | Trigonal | — | — | — | 2.14 |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.04 |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.16 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.20 |
Applications
Where K3RhF6 is used.
Frequently Asked Questions
Common questions about K3RhF6, answered from cross-validated data.
What is K3RhF6?
K3RhF6 is a thermodynamically stable, semiconducting fluoride compound belonging to the platinum-group alloy catalyst class.
What is K3RhF6 used for?
What is the band gap of K3RhF6?
Is K3RhF6 a metal, semiconductor, or insulator?
Is K3RhF6 thermodynamically stable?
What is the crystal structure of K3RhF6?
What is the density of K3RhF6?
How many polymorphs of K3RhF6 are known?
What elements does K3RhF6 contain?
Where does the data for K3RhF6 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike metallic members of the platinum-group alloy class such as LaRh or BaPd, K3RhF6 is defined by its semiconducting electronic behavior. While many siblings in this group function primarily as traditional metallic catalysts, this compound offers a unique structural and electronic profile that distinguishes it from the more common intermetallic phases like GeRu or As2Pt.
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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