TcBr3
TcBr3 is a thermodynamically stable, semiconducting technetium bromide compound characterized by a well-defined crystalline structure.
About TcBr3
TcBr3 is a technetium-based bromide that exhibits semiconducting electronic behavior. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within its chemical system, reflecting the unique coordination chemistry of technetium halides. Its structural integrity makes it a subject of interest for researchers investigating the transition metal halide landscape.
With numerous reported structures across multiple databases, this compound is well-documented in the scientific literature. Its stability and electronic profile provide a foundation for understanding how technetium interacts with halogen ligands to form ordered, crystalline materials suitable for advanced materials characterization.
Key Properties
Cross-validated computational properties for TcBr3, 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 TcBr3, 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. |
|---|---|---|---|---|---|
| Pmmn (No. 59) | orthorhombic | 0.13 | 0.0000 | -4.607 | 4.80 |
| P63/mcm (No. 193) | hexagonal | 0.00 | 0.0048 | -4.602 | 4.64 |
| P2 (No. 3) | Monoclinic | — | — | — | 8.49 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.31 |
| P2 (No. 3) | Monoclinic | — | — | — | 5.11 |
| C2 (No. 5) | Monoclinic | — | — | — | 5.76 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.48 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.82 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 7.37 |
| P2/m (No. 10) | Monoclinic | — | — | — | 4.79 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 5.95 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.11 |
Applications
Where TcBr3 is used.
Frequently Asked Questions
Common questions about TcBr3, answered from cross-validated data.
What is TcBr3?
TcBr3 is a thermodynamically stable, semiconducting technetium bromide compound characterized by a well-defined crystalline structure.
What is TcBr3 used for?
What is the band gap of TcBr3?
Is TcBr3 a metal, semiconductor, or insulator?
Is TcBr3 thermodynamically stable?
What is the crystal structure of TcBr3?
What is the density of TcBr3?
How many polymorphs of TcBr3 are known?
What elements does TcBr3 contain?
Where does the data for TcBr3 come from?
How It Compares
As a distinct technetium bromide, TcBr3 occupies a unique position in the landscape of transition metal halides, serving as a stable reference point for understanding the bonding and structural preferences of technetium in higher oxidation states.
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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