NaSb3F10
NaSb3F10 is a thermodynamically stable, insulating fluoride compound composed of sodium, antimony, and fluorine.
About NaSb3F10
NaSb3F10 is a complex fluoride compound characterized by its insulating electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of sodium, antimony, and fluorine atoms. Its stability suggests a well-defined chemical identity that is favorable for synthesis and long-term structural integrity. This material is of interest to researchers studying the fundamental chemistry of complex metal fluorides, where its wide-gap electronic character makes it a candidate for applications requiring electrical insulation. The existence of multiple reported structures highlights its structural versatility within the solid-state landscape.
Key Properties
Cross-validated computational properties for NaSb3F10, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of NaSb3F10. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for NaSb3F10, 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. |
|---|---|---|---|---|---|
| P63 (No. 173) | hexagonal | 4.97 | 0.0000 | -5.099 | 4.42 |
| P63 (No. 173) | hexagonal | 4.93 | 0.0000 | -2.540 | — |
| — | — | 4.81 | 0.0000 | -2.706 | — |
| P63 (No. 173) | hexagonal | — | — | — | 4.25 |
| P63 (No. 173) | hexagonal | — | — | — | 4.13 |
| P63 (No. 173) | hexagonal | — | — | — | 4.03 |
| P63 (No. 173) | hexagonal | — | — | — | 4.27 |
Applications
Where NaSb3F10 is used.
Frequently Asked Questions
Common questions about NaSb3F10, answered from cross-validated data.
What is NaSb3F10?
NaSb3F10 is a thermodynamically stable, insulating fluoride compound composed of sodium, antimony, and fluorine.
What is NaSb3F10 used for?
What is the band gap of NaSb3F10?
Is NaSb3F10 a metal, semiconductor, or insulator?
Is NaSb3F10 thermodynamically stable?
What is the crystal structure of NaSb3F10?
What is the density of NaSb3F10?
How many polymorphs of NaSb3F10 are known?
What elements does NaSb3F10 contain?
Where does the data for NaSb3F10 come from?
How It Compares
As a unique fluoride phase, NaSb3F10 serves as a distinct example of how alkali and pnictogen elements can combine to form stable, insulating frameworks. Unlike simpler binary fluorides, this compound demonstrates a more intricate structural complexity that is typical of multi-component systems, positioning it as a specialized subject for studies in complex ionic lattice formation.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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