HoF3
holmium trifluoride · holmium(III) fluoride
Holmium trifluoride is a stable, insulating rare-earth salt commonly used in the production of optical thin films and specialized laser components.
About holmium trifluoride
Holmium trifluoride is a robust inorganic compound that exists as a thermodynamically stable solid. Its electronic character is defined by a wide band gap, classifying it as a highly effective insulator suitable for demanding optical environments.
Due to its structural integrity and stability, this compound is frequently utilized in the development of advanced optical components. Its ability to maintain performance under various conditions makes it a reliable choice for high-precision applications in photonics and materials science.
Key Properties
Cross-validated computational properties for holmium 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 HoF3. 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 HoF3, 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. |
|---|---|---|---|---|---|
| — | — | 8.32 | 0.0000 | -4.442 | — |
| Pnma (No. 62) | orthorhombic | 8.09 | 0.0000 | -4.374 | — |
| Pnma (No. 62) | orthorhombic | 7.76 | 0.0000 | -7.044 | 7.89 |
| — | — | 8.80 | 0.0196 | -4.423 | — |
| — | — | 7.45 | 0.0260 | -4.416 | — |
| — | — | 8.19 | 0.0859 | -4.356 | — |
| — | — | 7.61 | 0.0997 | -4.343 | — |
| — | — | 7.66 | 0.1150 | -4.327 | — |
| — | — | 8.11 | 0.1359 | -4.306 | — |
| — | — | 8.00 | 0.1522 | -4.290 | — |
| — | — | 7.80 | 0.1530 | -4.289 | — |
| — | — | 7.65 | 0.2411 | -4.201 | — |
Applications
Where holmium trifluoride is used.
Frequently Asked Questions
Common questions about holmium trifluoride, answered from cross-validated data.
What is HoF3?
Holmium trifluoride is a stable, insulating rare-earth salt commonly used in the production of optical thin films and specialized laser components.
What is HoF3 used for?
What is the band gap of HoF3?
Is HoF3 a metal, semiconductor, or insulator?
Is HoF3 thermodynamically stable?
What is the crystal structure of HoF3?
How many polymorphs of HoF3 are known?
What elements does HoF3 contain?
Where does the data for HoF3 come from?
How It Compares
As a stable fluoride compound, it serves as a key representative of the rare-earth halide family, providing a reliable platform for optical applications where chemical stability and insulating properties are paramount.
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.
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