BrCuTe
BrCuTe is a thermodynamically stable semiconducting material composed of copper, bromine, and tellurium.
About BrCuTe
BrCuTe is a distinct inorganic compound characterized by its semiconducting electronic nature. As a material that resides on the convex hull, it exhibits notable thermodynamic stability, making it a reliable candidate for fundamental studies in solid-state chemistry and materials science.
Given its electronic profile, this compound is of significant interest for researchers investigating new semiconductor architectures. Its existence across multiple structural configurations highlights its versatility and the importance of understanding its phase behavior for future technological integration.
Key Properties
Cross-validated computational properties for BrCuTe, 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 BrCuTe, 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. |
|---|---|---|---|---|---|
| Fddd (No. 70) | orthorhombic | 0.80 | 0.0000 | -3.572 | 5.24 |
| F-43m (No. 216) | — | — | — | — | — |
| — | — | — | — | — | 5.56 |
Applications
Where BrCuTe is used.
Frequently Asked Questions
Common questions about BrCuTe, answered from cross-validated data.
What is BrCuTe?
BrCuTe is a thermodynamically stable semiconducting material composed of copper, bromine, and tellurium.
What is BrCuTe used for?
What is the band gap of BrCuTe?
Is BrCuTe a metal, semiconductor, or insulator?
Is BrCuTe thermodynamically stable?
What is the crystal structure of BrCuTe?
What is the density of BrCuTe?
How many polymorphs of BrCuTe are known?
What elements does BrCuTe contain?
Where does the data for BrCuTe come from?
How It Compares
As a unique inorganic phase, BrCuTe serves as a foundational example of how copper, bromine, and tellurium can organize into stable semiconducting frameworks. It represents a specific point in the chemical space of ternary chalcogenide-halides, providing a baseline for exploring the electronic properties of similar multi-element systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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