Sb4O5F2
Sb4O5F2 is a wide-band-gap insulating oxyfluoride compound that exhibits significant structural diversity and is considered a viable candidate for experimental synthesis.
About Sb4O5F2
Sb4O5F2 is a complex oxyfluoride characterized by its insulating electronic nature and wide band gap. Its structural configuration suggests a robust atomic arrangement, placing it in a region of thermodynamic stability that supports its potential for experimental synthesis and characterization.
Given the multiple reported structural variations, this compound represents an intriguing subject for materials research. Its unique combination of antimony, oxygen, and fluorine provides a distinct chemical environment that is of interest for fundamental studies in inorganic solid-state chemistry.
Key Properties
Cross-validated computational properties for Sb4O5F2, 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 Sb4O5F2, 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 | 3.05 | 0.0247 | -6.070 | 4.62 |
| Pnma (No. 62) | orthorhombic | 3.02 | 0.0429 | -6.052 | 5.33 |
| P21 (No. 4) | monoclinic | 2.89 | 0.0431 | -6.052 | 4.67 |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.62 |
| P21/c (No. 14) | Monoclinic | — | — | — | 5.01 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.77 |
Applications
Where Sb4O5F2 is used.
Frequently Asked Questions
Common questions about Sb4O5F2, answered from cross-validated data.
What is Sb4O5F2?
Sb4O5F2 is a wide-band-gap insulating oxyfluoride compound that exhibits significant structural diversity and is considered a viable candidate for experimental synthesis.
What is Sb4O5F2 used for?
What is the band gap of Sb4O5F2?
Is Sb4O5F2 a metal, semiconductor, or insulator?
Is Sb4O5F2 thermodynamically stable?
What is the crystal structure of Sb4O5F2?
What is the density of Sb4O5F2?
How many polymorphs of Sb4O5F2 are known?
What elements does Sb4O5F2 contain?
Where does the data for Sb4O5F2 come from?
How It Compares
As a specialized inorganic oxyfluoride, Sb4O5F2 occupies a unique niche within the broader landscape of antimony-based compounds. While it lacks direct structural siblings in this specific dataset, its status as a near-hull material suggests it is a viable candidate for further exploration alongside other complex antimony-based oxides and halides.
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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