Sn2OF5
Sn2OF5 is a stable semiconducting oxide material that functions as a transparent conductor for specialized electronic applications.
About Sn2OF5
Sn2OF5 is a distinct member of the transparent conducting oxide family, characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline material that maintains structural integrity under standard conditions.
This compound is of significant interest in materials science due to its ability to balance optical transparency with electrical conductivity. Its structural framework allows for versatile applications in advanced electronic devices where precise control over charge carrier behavior is required.
Key Properties
Cross-validated computational properties for Sn2OF5, 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 Sn2OF5. 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 Sn2OF5, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 2.13 | 0.0000 | -2.373 | — |
| C2/m (No. 12) | monoclinic | 1.91 | 0.0000 | -5.452 | 5.05 |
| — | — | 1.82 | 0.0000 | -2.590 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 5.10 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.81 |
| C2/m (No. 12) | monoclinic | — | — | — | 4.97 |
| C2/m (No. 12) | monoclinic | — | — | — | 5.14 |
Applications
Where Sn2OF5 is used.
Frequently Asked Questions
Common questions about Sn2OF5, answered from cross-validated data.
What is Sn2OF5?
Sn2OF5 is a stable semiconducting oxide material that functions as a transparent conductor for specialized electronic applications.
What is Sn2OF5 used for?
What is the band gap of Sn2OF5?
Is Sn2OF5 a metal, semiconductor, or insulator?
Is Sn2OF5 thermodynamically stable?
What is the crystal structure of Sn2OF5?
How many polymorphs of Sn2OF5 are known?
What elements does Sn2OF5 contain?
Where does the data for Sn2OF5 come from?
How It Compares
Within the transparent conducting oxides class.
Unlike more traditional transparent conducting oxides such as ZnO or BaSnO3, which are widely utilized for their high carrier mobility, Sn2OF5 offers a unique chemical composition that distinguishes its electronic landscape from common spinel-structured oxides like ZnGa2O4 or ZnCr2O4.
Related Compounds
Other Transparent Conducting Oxides in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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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