InF3
indium trifluoride · indium(III) fluoride
Indium trifluoride is a stable, insulating fluoride compound utilized in advanced chemical and optical material applications.
About indium trifluoride
Indium trifluoride is a thermodynamically stable inorganic compound characterized by its wide-band-gap insulating electronic profile. Its structural integrity is well-supported by extensive experimental data, making it a reliable material for high-performance chemical and optical systems.
As a fluoride, it plays a critical role in specialized material synthesis and serves as a precursor for various indium-based compounds. Its stability and insulating nature allow it to function effectively in environments where precise electronic control and chemical resistance are required.
Key Properties
Cross-validated computational properties for indium trifluoride, 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 InF3. 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 InF3, 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. |
|---|---|---|---|---|---|
| — | — | 4.43 | 0.0000 | -2.778 | — |
| R-3c (No. 167) | trigonal | 4.18 | 0.0000 | -2.589 | — |
| R-3c (No. 167) | trigonal | 4.01 | 0.0000 | -4.956 | 4.96 |
| — | — | 4.64 | 0.0042 | -2.773 | — |
| — | — | 4.18 | 0.0158 | -2.762 | — |
| — | — | 4.45 | 0.0388 | -2.739 | — |
| — | — | 4.07 | 0.0398 | -2.738 | — |
| — | — | 4.55 | 0.0574 | -2.720 | — |
| — | — | 3.48 | 0.0581 | -2.719 | — |
| — | — | 4.56 | 0.0583 | -2.719 | — |
| — | — | 4.32 | 0.0651 | -2.712 | — |
| — | — | 4.78 | 0.0757 | -2.702 | — |
Applications
Where indium trifluoride is used.
Frequently Asked Questions
Common questions about indium trifluoride, answered from cross-validated data.
What is InF3?
Indium trifluoride is a stable, insulating fluoride compound utilized in advanced chemical and optical material applications.
What is InF3 used for?
What is the band gap of InF3?
Is InF3 a metal, semiconductor, or insulator?
Is InF3 thermodynamically stable?
What is the crystal structure of InF3?
How many polymorphs of InF3 are known?
What elements does InF3 contain?
Where does the data for InF3 come from?
How It Compares
As a standalone member of the metal fluoride class, indium trifluoride is recognized for its robust thermodynamic stability and well-documented structural diversity, positioning it as a foundational material for researchers investigating high-purity fluoride chemistry.
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)
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