Br4O22Te8Zr4
Br4O22Te8Zr4 is a thermodynamically stable, semiconducting inorganic compound containing bromine, oxygen, tellurium, and zirconium.
About Br4O22Te8Zr4
Br4O22Te8Zr4 is a complex inorganic compound composed of bromine, oxygen, tellurium, and zirconium. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement within its chemical system.
This material exhibits semiconducting electronic character, making it a subject of interest for researchers investigating specialized electronic or optical properties. Its unique stoichiometry suggests potential utility in advanced solid-state applications where precise control over electronic behavior is required.
Key Properties
Cross-validated computational properties for Br4O22Te8Zr4, 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 Br4O22Te8Zr4, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 2.83 | 0.0000 | -6.763 | 4.78 |
| — | — | — | — | — | 4.64 |
| No. 0 | unknown | — | — | — | 2.58 |
Applications
Where Br4O22Te8Zr4 is used.
Frequently Asked Questions
Common questions about Br4O22Te8Zr4, answered from cross-validated data.
What is Br4O22Te8Zr4?
Br4O22Te8Zr4 is a thermodynamically stable, semiconducting inorganic compound containing bromine, oxygen, tellurium, and zirconium.
What is Br4O22Te8Zr4 used for?
What is the band gap of Br4O22Te8Zr4?
Is Br4O22Te8Zr4 a metal, semiconductor, or insulator?
Is Br4O22Te8Zr4 thermodynamically stable?
What is the crystal structure of Br4O22Te8Zr4?
What is the density of Br4O22Te8Zr4?
How many polymorphs of Br4O22Te8Zr4 are known?
What elements does Br4O22Te8Zr4 contain?
Where does the data for Br4O22Te8Zr4 come from?
How It Compares
As a distinct inorganic phase, Br4O22Te8Zr4 occupies a unique position in materials research. While it lacks direct structural siblings in this context, its stability and semiconducting nature distinguish it as a significant candidate for further characterization compared to less stable or metallic alternatives in the broader landscape of complex tellurium-zirconium oxides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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