TlBi3F10
TlBi3F10 is a thermodynamically stable, insulating fluoride compound that features complex structural characteristics.
About TlBi3F10
TlBi3F10 is a complex fluoride compound characterized by its wide-band-gap insulating electronic profile. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement within the bismuth-thallium-fluorine system.
This material is of significant interest for fundamental solid-state studies due to its structural complexity and stability. Its insulating nature makes it a candidate for specialized applications where dielectric properties and chemical durability are paramount.
Key Properties
Cross-validated computational properties for TlBi3F10, 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 TlBi3F10, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 4.44 | 0.0000 | -21.097 | 7.85 |
| Fm-3m (No. 225) | Cubic | — | — | — | 7.55 |
| Fm-3m (No. 225) | Cubic | — | — | — | 7.99 |
| Fm-3m (No. 225) | Cubic | — | — | — | 7.85 |
| Fm-3m (No. 225) | — | — | — | — | — |
Applications
Where TlBi3F10 is used.
Frequently Asked Questions
Common questions about TlBi3F10, answered from cross-validated data.
What is TlBi3F10?
TlBi3F10 is a thermodynamically stable, insulating fluoride compound that features complex structural characteristics.
What is TlBi3F10 used for?
What is the band gap of TlBi3F10?
Is TlBi3F10 a metal, semiconductor, or insulator?
Is TlBi3F10 thermodynamically stable?
What is the crystal structure of TlBi3F10?
What is the density of TlBi3F10?
How many polymorphs of TlBi3F10 are known?
What elements does TlBi3F10 contain?
Where does the data for TlBi3F10 come from?
How It Compares
As a unique member of the bismuth-thallium-fluoride family, TlBi3F10 occupies a distinct structural niche. Unlike simpler binary fluorides, this compound exhibits a complex stoichiometry that contributes to its thermodynamic stability, serving as a benchmark for understanding phase formation in multi-component halide systems.
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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