SbF4
SbF4 is a thermodynamically stable, wide-band-gap insulating compound formed from antimony and fluorine.
About SbF4
SbF4 is a distinct inorganic compound composed of antimony and fluorine. As a wide-band-gap insulator, it exhibits robust electronic characteristics that are of significant interest for fundamental materials research.
This material is recognized for being thermodynamically stable, occupying a favorable position on the convex hull. Its structural landscape is well-documented, with numerous reported configurations across major databases, highlighting its importance in theoretical and experimental chemistry.
Key Properties
Cross-validated computational properties for SbF4, 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 SbF4. 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 SbF4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.44 | 0.0000 | -5.015 | 4.29 |
| C2 (No. 5) | monoclinic | 2.44 | 0.0000 | -2.230 | — |
| C2 (No. 5) | monoclinic | 2.44 | 0.0002 | -2.230 | — |
| — | — | 2.78 | 0.0189 | -2.536 | — |
| P1 (No. 1) | triclinic | 2.52 | 0.1830 | -4.832 | 4.66 |
| — | — | 0.00 | 0.2608 | -2.294 | — |
| — | — | 0.00 | 0.2655 | -2.290 | — |
| P1 (No. 1) | triclinic | — | — | — | 3.88 |
| P1 (No. 1) | triclinic | — | — | — | 3.95 |
| P1 (No. 1) | triclinic | — | — | — | 4.66 |
| P1 (No. 1) | triclinic | — | — | — | 3.92 |
| P1 (No. 1) | triclinic | — | — | — | 4.18 |
Applications
Where SbF4 is used.
Frequently Asked Questions
Common questions about SbF4, answered from cross-validated data.
What is SbF4?
SbF4 is a thermodynamically stable, wide-band-gap insulating compound formed from antimony and fluorine.
What is SbF4 used for?
What is the band gap of SbF4?
Is SbF4 a metal, semiconductor, or insulator?
Is SbF4 thermodynamically stable?
What is the crystal structure of SbF4?
What is the density of SbF4?
How many polymorphs of SbF4 are known?
What elements does SbF4 contain?
Where does the data for SbF4 come from?
How It Compares
As a unique inorganic fluoride, SbF4 serves as a foundational reference point for understanding the bonding and structural stability of antimony-based halides. It represents a key subject for studying the electronic behavior of insulating fluorides in the absence of more complex ternary or quaternary systems.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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