TbF3

Terbium(III) fluoride · Terbium trifluoride

Terbium(III) fluoride is an inorganic compound that serves as a primary source of terbium in various technical applications. It is frequently utilized in the production of specialized optical materials and as a dopant in solid-state devices.

FTb
Crystal structure of TbF3 (orthorhombic, Pnma (No. 62))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Terbium(III) fluoride, aggregated across 3 databases.

Band Gap

7.76 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, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for TbF3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pnma (No. 62)orthorhombic7.760.0000-14.6547.46
C2/m (No. 12)Monoclinic4.96
C2/m (No. 12)Monoclinic4.75
C2/m (No. 12)Monoclinic4.53
Pnma (No. 62)
P21/m (No. 11)Monoclinic6.36
P21/m (No. 11)Monoclinic6.38
P21/m (No. 11)Monoclinic6.37
P21/m (No. 11)Monoclinic8.05
P21/m (No. 11)Monoclinic7.68
P21/m (No. 11)Monoclinic7.78
Uses

Applications

Where Terbium(III) fluoride is used.

Optical glass manufacturingFiber opticsSolid-state lasersPhosphor materials
Reference

Frequently Asked Questions

Common questions about Terbium(III) fluoride, answered from cross-validated data.

What is TbF3?

Terbium(III) fluoride is an inorganic compound that serves as a primary source of terbium in various technical applications. It is frequently utilized in the production of specialized optical materials and as a dopant in solid-state devices.

More questions
What is TbF3 used for?
Terbium(III) fluoride (TbF3) is used in optical glass manufacturing, fiber optics, solid-state lasers, and phosphor materials.
What is the band gap of TbF3?
Terbium(III) fluoride (TbF3) has a DFT-computed band gap of 7.76 eV across 11 reported structures.
Is TbF3 a metal, semiconductor, or insulator?
With a wide band gap up to 7.76 eV it is an insulator / wide-band-gap material.
Is TbF3 thermodynamically stable?
Yes — Terbium(III) fluoride (TbF3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of TbF3?
The lowest-energy reported polymorph of Terbium(III) fluoride (TbF3) is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of TbF3?
The computed density of the ground-state structure of Terbium(III) fluoride (TbF3) is 7.46 g/cm³.
How many polymorphs of TbF3 are known?
11 structures of TbF3 are reported across 3 databases, spanning 3 distinct space groups.
What elements does TbF3 contain?
Terbium(III) fluoride (TbF3) contains F and Tb (2 elements).
Where does the data for TbF3 come from?
TbF3 data is cross-referenced from materials_project, mpaloe, jarvis.
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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