InOF
InOF is a stable semiconducting indium oxyfluoride utilized in the study of transparent conducting materials.
About InOF
InOF is a thermodynamically stable inorganic compound that functions as a semiconductor. As a member of the transparent conducting oxide class, it represents a unique intersection of oxide and fluoride chemistry, offering distinct electronic properties that are valuable for optoelectronic research.
This material is recognized for its structural stability, sitting directly on the convex hull. Its presence in multiple databases highlights its significance as a subject of study for those looking to expand the library of functional transparent materials beyond traditional binary oxides.
Key Properties
Cross-validated computational properties for InOF, 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 InOF. 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 InOF, 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. |
|---|---|---|---|---|---|
| — | — | 1.83 | 0.0000 | -2.284 | — |
| Fddd (No. 70) | orthorhombic | 1.54 | 0.0000 | -2.139 | — |
| Fddd (No. 70) | orthorhombic | 1.33 | 0.0000 | -5.583 | 6.55 |
| — | — | 1.62 | 0.0128 | -2.271 | — |
| P1 (No. 1) | triclinic | 1.43 | 0.0148 | -5.568 | 6.29 |
| — | — | 1.51 | 0.0336 | -2.251 | — |
| Pmmn (No. 59) | orthorhombic | 1.38 | 0.0465 | -2.092 | — |
| — | — | 1.79 | 0.0585 | -2.226 | — |
| — | — | 1.67 | 0.0607 | -2.223 | — |
| — | — | 1.69 | 0.0808 | -2.203 | — |
| — | — | 1.61 | 0.0909 | -2.193 | — |
| — | — | 0.52 | 0.1361 | -2.148 | — |
Applications
Where InOF is used.
Frequently Asked Questions
Common questions about InOF, answered from cross-validated data.
What is InOF?
InOF is a stable semiconducting indium oxyfluoride utilized in the study of transparent conducting materials.
What is InOF used for?
What is the band gap of InOF?
Is InOF a metal, semiconductor, or insulator?
Is InOF thermodynamically stable?
What is the crystal structure of InOF?
How many polymorphs of InOF are known?
What elements does InOF contain?
Where does the data for InOF come from?
How It Compares
Within the transparent conducting oxides class.
Compared to well-established transparent conducting oxides like ZnO and BaSnO3, InOF offers a different chemical composition by incorporating fluorine into the indium-oxygen framework. While materials like ZnGa2O4 or CaIn2O4 are frequently studied for their specific optical transparency, InOF serves as a specialized alternative that leverages the electronegativity of fluorine to tune the electronic environment of the indium-based lattice.
Related Compounds
Other Transparent Conducting Oxides in the database.
Data sources & attribution
- 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)
- 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)
- 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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