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.

FHo
Crystal structure of HoF3 (orthorhombic, Pnma (No. 62))
Ground-state structure · Materials Project
Overview

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.

At a glance

Key Properties

Cross-validated computational properties for holmium trifluoride, aggregated across 3 databases.

Band Gap

7.75 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

11
3 databases, 6 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for HoF3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pnma (No. 62)orthorhombic7.750.0000-15.0597.89
P-3m1 (No. 164)Trigonal5.24
P-3m1 (No. 164)Trigonal5.23
Cm (No. 8)Monoclinic5.81
Pnma (No. 62)
P-1 (No. 2)Triclinic9.37
P-1 (No. 2)Triclinic7.05
P-1 (No. 2)Triclinic7.43
C2/m (No. 12)Monoclinic7.52
P-1 (No. 2)Triclinic6.47
P1 (No. 1)Triclinic6.67
Uses

Applications

Where holmium trifluoride is used.

optical coatingslaser host materialsfiber opticsfluoride glass production
Reference

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.

More questions
What is HoF3 used for?
holmium trifluoride (HoF3) is used in optical coatings, laser host materials, fiber optics, and fluoride glass production.
What is the band gap of HoF3?
holmium trifluoride (HoF3) has a DFT-computed band gap of 7.75 eV across 11 reported structures.
Is HoF3 a metal, semiconductor, or insulator?
With a wide band gap up to 7.75 eV it is an insulator / wide-band-gap material.
Is HoF3 thermodynamically stable?
Yes — holmium trifluoride (HoF3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of HoF3?
The lowest-energy reported polymorph of holmium trifluoride (HoF3) is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of HoF3?
The computed density of the ground-state structure of holmium trifluoride (HoF3) is 7.89 g/cm³.
How many polymorphs of HoF3 are known?
11 structures of HoF3 are reported across 3 databases, spanning 6 distinct space groups.
What elements does HoF3 contain?
holmium trifluoride (HoF3) contains F and Ho (2 elements).
Where does the data for HoF3 come from?
HoF3 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

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
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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