TcBr4
Technetium tetrabromide is a binary inorganic compound composed of technetium and bromine. It is primarily utilized in specialized chemical research and as a precursor for the synthesis of other technetium-based complexes.
BrTc
Overview
Key Properties
Cross-validated computational properties for TcBr4, aggregated across 4 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.
0.68 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
7
4 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for TcBr4, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 0.68 | 0.0000 | -4.096 | 4.50 |
| Pm (No. 6) | Monoclinic | — | — | — | 5.75 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 5.08 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 5.17 |
| Pbca (No. 61) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.61 |
| No. 0 | unknown | — | — | — | 1.64 |
Uses
Applications
Where TcBr4 is used.
Chemical researchPrecursor for technetium complex synthesis
Reference
Frequently Asked Questions
Common questions about TcBr4, answered from cross-validated data.
What is TcBr4?
Technetium tetrabromide is a binary inorganic compound composed of technetium and bromine. It is primarily utilized in specialized chemical research and as a precursor for the synthesis of other technetium-based complexes.
More questions
What is TcBr4 used for?
TcBr4 is used in chemical research and precursor for technetium complex synthesis.
What is the band gap of TcBr4?
TcBr4 has a DFT-computed band gap of 0.68 eV across 7 reported structures.
Is TcBr4 a metal, semiconductor, or insulator?
With a band gap up to 0.68 eV it is a semiconductor.
Is TcBr4 thermodynamically stable?
Yes — TcBr4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of TcBr4?
The lowest-energy reported polymorph of TcBr4 is orthorhombic symmetry, space group Pbca (No. 61).
What is the density of TcBr4?
The computed density of the ground-state structure of TcBr4 is 4.50 g/cm³.
How many polymorphs of TcBr4 are known?
7 structures of TcBr4 are reported across 4 databases, spanning 4 distinct space groups.
What elements does TcBr4 contain?
TcBr4 contains Br and Tc (2 elements).
Where does the data for TcBr4 come from?
TcBr4 data is cross-referenced from materials_project, mpaloe, jarvis, cod.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
Analyze TcBr4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →