F6IrNa3
Sodium hexafluoroiridate(III) · Na3IrF6
Sodium hexafluoroiridate is an inorganic coordination compound containing iridium in a fluoride environment. It is primarily utilized as a precursor in the synthesis of other iridium-based materials and in specialized chemical research.
Key Properties
Cross-validated computational properties for Sodium hexafluoroiridate(III), 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 F6IrNa3, 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 | 2.04 | 0.1087 | -10.515 | 4.44 |
| — | — | — | — | — | 3.90 |
| — | — | — | — | — | — |
Applications
Where Sodium hexafluoroiridate(III) is used.
Frequently Asked Questions
Common questions about Sodium hexafluoroiridate(III), answered from cross-validated data.
What is F6IrNa3?
Sodium hexafluoroiridate is an inorganic coordination compound containing iridium in a fluoride environment. It is primarily utilized as a precursor in the synthesis of other iridium-based materials and in specialized chemical research.
What is F6IrNa3 used for?
What is the band gap of F6IrNa3?
Is F6IrNa3 a metal, semiconductor, or insulator?
Is F6IrNa3 thermodynamically stable?
What is the crystal structure of F6IrNa3?
What is the density of F6IrNa3?
How many polymorphs of F6IrNa3 are known?
What elements does F6IrNa3 contain?
Where does the data for F6IrNa3 come from?
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- alexandria — Data from alexandria.
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