Na3SbF6
Na3SbF6 is a wide-band-gap insulating compound containing sodium, antimony, and fluorine that exhibits multiple structural variations.
About Na3SbF6
Na3SbF6 is a complex fluoride compound composed of sodium, antimony, and fluorine. As a wide-band-gap insulator, it exhibits distinct electronic properties characteristic of highly ionic fluoride frameworks.
While it has been documented across multiple structural databases, the compound is characterized as being above the thermodynamic hull. This suggests that while it can be synthesized and studied in various structural forms, it may require specific conditions to maintain stability compared to more robust phases.
Key Properties
Cross-validated computational properties for Na3SbF6, 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 Na3SbF6, 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 | 3.66 | 0.1648 | -4.685 | 2.90 |
| Fm-3m (No. 225) | cubic | 3.29 | 0.1917 | -4.658 | 2.96 |
| P-1 (No. 2) | triclinic | 3.21 | 0.2517 | -4.598 | 1.65 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | Cubic | — | — | — | 2.96 |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.08 |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.09 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.02 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.90 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.02 |
Applications
Where Na3SbF6 is used.
Frequently Asked Questions
Common questions about Na3SbF6, answered from cross-validated data.
What is Na3SbF6?
Na3SbF6 is a wide-band-gap insulating compound containing sodium, antimony, and fluorine that exhibits multiple structural variations.
What is Na3SbF6 used for?
What is the band gap of Na3SbF6?
Is Na3SbF6 a metal, semiconductor, or insulator?
Is Na3SbF6 thermodynamically stable?
What is the crystal structure of Na3SbF6?
What is the density of Na3SbF6?
How many polymorphs of Na3SbF6 are known?
What elements does Na3SbF6 contain?
Where does the data for Na3SbF6 come from?
How It Compares
As a unique fluoride phase, Na3SbF6 represents a specialized composition within the broader family of complex sodium-antimony halides. Unlike more common, highly stable binary fluorides, this compound occupies a distinct position in the chemical space, serving as a subject of interest for researchers investigating metastable inorganic structures.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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