ErF3

Erbium trifluoride · Erbium(III) fluoride

Erbium trifluoride is a stable, insulating rare-earth compound frequently employed in optical technologies and laser systems.

ErF
Crystal structure of ErF3 (orthorhombic, Pnma (No. 62))
Ground-state structure · Materials Project
Overview

About Erbium trifluoride

Erbium trifluoride is a robust inorganic compound that exists as a wide-band-gap insulator. Its status as a thermodynamically stable phase on the convex hull makes it a reliable material for high-performance applications where chemical and thermal resilience are required. The compound is well-documented in structural databases, reflecting its significance in materials science research. It is primarily utilized for its unique optical properties, particularly in the development of advanced photonic devices and specialized glass compositions.

At a glance

Key Properties

Cross-validated computational properties for Erbium trifluoride, aggregated across 4 databases.

Band Gap

7.62 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

7
4 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for ErF3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pnma (No. 62)orthorhombic7.620.0000-15.3258.11
Pnma (No. 62)
8.86
8.86
C2/m (No. 12)Monoclinic7.56
C2/m (No. 12)Monoclinic6.77
C2/m (No. 12)Monoclinic6.55
Uses

Applications

Where Erbium trifluoride is used.

Optical coatingsLaser host materialsFiber opticsUpconversion phosphors
Reference

Frequently Asked Questions

Common questions about Erbium trifluoride, answered from cross-validated data.

What is ErF3?

Erbium trifluoride is a stable, insulating rare-earth compound frequently employed in optical technologies and laser systems.

More questions
What is ErF3 used for?
Erbium trifluoride (ErF3) is used in optical coatings, laser host materials, fiber optics, and upconversion phosphors.
What is the band gap of ErF3?
Erbium trifluoride (ErF3) has a DFT-computed band gap of 7.62 eV across 7 reported structures.
Is ErF3 a metal, semiconductor, or insulator?
With a wide band gap up to 7.62 eV it is an insulator / wide-band-gap material.
Is ErF3 thermodynamically stable?
Yes — Erbium trifluoride (ErF3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of ErF3?
The lowest-energy reported polymorph of Erbium trifluoride (ErF3) is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of ErF3?
The computed density of the ground-state structure of Erbium trifluoride (ErF3) is 8.11 g/cm³.
How many polymorphs of ErF3 are known?
7 structures of ErF3 are reported across 4 databases, spanning 2 distinct space groups.
What elements does ErF3 contain?
Erbium trifluoride (ErF3) contains Er and F (2 elements).
Where does the data for ErF3 come from?
ErF3 data is cross-referenced from materials_project, jarvis, omat24, mpaloe.
Comparison

How It Compares

As a stable fluoride compound, ErF3 serves as a key representative of rare-earth trifluorides, which are widely valued for their transparency across broad spectral ranges and their ability to host lanthanide ions for light-emitting applications.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
  • mpaloe — Data from mpaloe.

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