KSO2F
KSO2F is a wide-gap insulating inorganic compound that is theoretically stable enough to be synthesized for research purposes.
About KSO2F
KSO2F is an insulating compound characterized by a wide electronic band gap. Its structural properties and chemical composition suggest it is a stable material that remains a subject of interest for researchers exploring new inorganic frameworks.
Because it sits near the thermodynamic hull, KSO2F is considered a viable candidate for synthesis. The existence of multiple reported structures across databases highlights its potential for structural diversity and its role in fundamental materials science investigations.
Key Properties
Cross-validated computational properties for KSO2F, 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 KSO2F. 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 KSO2F, 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 (No. 4) | monoclinic | 4.00 | 0.0000 | -1.922 | — |
| — | — | 4.01 | 0.0017 | -2.107 | — |
| P21/m (No. 11) | monoclinic | 3.81 | 0.0088 | -1.914 | — |
| P21/m (No. 11) | monoclinic | 4.00 | 0.0188 | -5.596 | 2.18 |
| P21 (No. 4) | monoclinic | 4.15 | 0.0241 | -5.591 | 2.13 |
| P21/m (No. 11) | monoclinic | — | — | — | 2.31 |
| P21 (No. 4) | monoclinic | — | — | — | 2.26 |
| P21/m (No. 11) | monoclinic | — | — | — | 2.32 |
| P21 (No. 4) | monoclinic | — | — | — | 2.16 |
| P21 (No. 4) | monoclinic | — | — | — | 2.13 |
| P21/m (No. 11) | monoclinic | — | — | — | 2.21 |
| P21/m (No. 11) | monoclinic | — | — | — | 2.30 |
Applications
Where KSO2F is used.
Frequently Asked Questions
Common questions about KSO2F, answered from cross-validated data.
What is KSO2F?
KSO2F is a wide-gap insulating inorganic compound that is theoretically stable enough to be synthesized for research purposes.
What is KSO2F used for?
What is the band gap of KSO2F?
Is KSO2F a metal, semiconductor, or insulator?
Is KSO2F thermodynamically stable?
What is the crystal structure of KSO2F?
How many polymorphs of KSO2F are known?
What elements does KSO2F contain?
Where does the data for KSO2F come from?
How It Compares
As a unique inorganic compound, KSO2F serves as a distinct entry point for studying sulfur-based fluorides, representing a specific structural niche within its chemical class.
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)
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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.
Analyze KSO2F in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →