Bi1Br2Te1
Bi1Br2Te1 is a metastable semiconducting compound composed of bismuth, bromine, and tellurium that is studied for its potential role in thermoelectric applications.
About Bi1Br2Te1
Bi1Br2Te1 is a semiconducting member of the bismuth chalcogenide family, characterized by its complex structural arrangement involving bismuth, bromine, and tellurium. As a metastable phase, it represents a specialized configuration within this class of materials, offering distinct electronic properties that are of significant interest for fundamental solid-state studies.
Its importance lies in the ongoing exploration of non-traditional thermoelectric materials that deviate from standard stoichiometric ratios. By incorporating halogens like bromine into the chalcogenide framework, this compound serves as a platform for investigating how chemical substitution influences electronic transport and structural stability in potential energy-harvesting technologies.
Key Properties
Cross-validated computational properties for Bi1Br2Te1, aggregated across 2 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 Bi1Br2Te1, 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 | 1.06 | 0.0281 | -3.179 | 5.25 |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
Applications
Where Bi1Br2Te1 is used.
Frequently Asked Questions
Common questions about Bi1Br2Te1, answered from cross-validated data.
What is Bi1Br2Te1?
Bi1Br2Te1 is a metastable semiconducting compound composed of bismuth, bromine, and tellurium that is studied for its potential role in thermoelectric applications.
What is Bi1Br2Te1 used for?
What is the band gap of Bi1Br2Te1?
Is Bi1Br2Te1 a metal, semiconductor, or insulator?
Is Bi1Br2Te1 thermodynamically stable?
What is the crystal structure of Bi1Br2Te1?
What is the density of Bi1Br2Te1?
How many polymorphs of Bi1Br2Te1 are known?
What elements does Bi1Br2Te1 contain?
Where does the data for Bi1Br2Te1 come from?
How It Compares
Within the bismuth chalcogenide thermoelectrics class.
Within the broader family of bismuth chalcogenides, Bi1Br2Te1 occupies a unique niche compared to more conventional, highly stable thermoelectric materials like Bi2Te3 or Bi2Se3. While those siblings are widely utilized for their robust performance in cooling and power generation, Bi1Br2Te1 is distinguished by its metastable nature and the inclusion of bromine, which sets it apart from the binary and ternary chalcogenides such as Sb2Te3 or AgSbTe2.
Related Compounds
Other Bismuth Chalcogenide Thermoelectrics in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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