TmF3
thulium trifluoride · thulium(III) fluoride
Thulium trifluoride is a stable, insulating rare-earth compound frequently used in optical technologies and material science research.
About thulium trifluoride
Thulium trifluoride is a thermodynamically stable inorganic compound that exists as a wide-gap insulator. Its robust structural profile is confirmed by its presence on the convex hull, indicating significant chemical stability under standard conditions.
This material is primarily utilized for its unique electronic and optical properties inherent to the lanthanide series. It serves as a critical component in the development of specialized glass, fiber optics, and various luminescent materials where high-purity rare-earth fluorides are required.
Key Properties
Cross-validated computational properties for thulium 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.
Reported Structures
Lowest-energy structures reported for TmF3, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 5.38 | 0.0000 | -15.307 | 9.44 |
| Fm-3m (No. 225) | cubic | 6.17 | 0.0182 | -15.289 | 9.39 |
| Fm-3m (No. 225) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.93 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.69 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.00 |
Applications
Where thulium trifluoride is used.
Frequently Asked Questions
Common questions about thulium trifluoride, answered from cross-validated data.
What is TmF3?
Thulium trifluoride is a stable, insulating rare-earth compound frequently used in optical technologies and material science research.
What is TmF3 used for?
What is the band gap of TmF3?
Is TmF3 a metal, semiconductor, or insulator?
Is TmF3 thermodynamically stable?
What is the crystal structure of TmF3?
What is the density of TmF3?
How many polymorphs of TmF3 are known?
What elements does TmF3 contain?
Where does the data for TmF3 come from?
How It Compares
As a member of the rare-earth fluoride family, thulium trifluoride occupies a stable position within the class, exhibiting the characteristic insulating behavior and structural integrity expected of heavy lanthanide trifluorides.
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).
- mpaloe — Data from mpaloe.
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