Te2Br
Te2Br is a thermodynamically stable semiconducting compound formed from tellurium and bromine that is frequently studied for its structural characteristics.
About Te2Br
Te2Br is a distinct binary inorganic compound composed of tellurium and bromine. As a thermodynamically stable phase located on the convex hull, it represents a robust material configuration that has garnered significant attention in structural research, evidenced by its extensive documentation across multiple databases. Its semiconducting nature makes it a compelling subject for investigations into charge transport and optoelectronic behavior. This compound serves as a critical model for understanding the bonding interactions between chalcogens and halogens, providing insights into the synthesis and stability of low-dimensional semiconducting materials. Its unique electronic profile suggests potential utility in specialized semiconductor devices where precise control over carrier concentration is required.
Key Properties
Cross-validated computational properties for Te2Br, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Te2Br. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Te2Br, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.66 | 0.0000 | -2.987 | 5.28 |
| — | — | 0.50 | 0.0000 | -0.270 | — |
| Pnma (No. 62) | orthorhombic | 0.15 | 0.0000 | -0.168 | — |
| P-1 (No. 2) | triclinic | 0.00 | 0.0319 | -0.136 | — |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0712 | -0.096 | — |
| Pm (No. 6) | monoclinic | 0.00 | 0.1741 | 0.007 | — |
| — | — | 0.00 | 0.3615 | 0.092 | — |
| — | — | 0.00 | 0.8453 | 0.575 | — |
| P-1 (No. 2) | triclinic | — | — | — | 3.05 |
| P1 (No. 1) | triclinic | — | — | — | 4.56 |
| P1 (No. 1) | triclinic | — | — | — | 6.59 |
| P1 (No. 1) | triclinic | — | — | — | 6.76 |
Applications
Where Te2Br is used.
Frequently Asked Questions
Common questions about Te2Br, answered from cross-validated data.
What is Te2Br?
Te2Br is a thermodynamically stable semiconducting compound formed from tellurium and bromine that is frequently studied for its structural characteristics.
What is Te2Br used for?
What is the band gap of Te2Br?
Is Te2Br a metal, semiconductor, or insulator?
Is Te2Br thermodynamically stable?
What is the crystal structure of Te2Br?
What is the density of Te2Br?
How many polymorphs of Te2Br are known?
What elements does Te2Br contain?
Where does the data for Te2Br come from?
How It Compares
As a standalone binary phase, Te2Br occupies a unique position in materials science, serving as a primary reference point for tellurium-rich halide systems. Unlike more common binary semiconductors, its specific stoichiometry offers a distinct structural framework that researchers use to benchmark the stability and electronic performance of related chalcogen-halide complexes.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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