BiTeCl
BiTeCl is a stable, semiconducting bismuth-based chalcogenide halide used in advanced materials research.
About BiTeCl
BiTeCl is a distinct member of the bismuth chalcogenide family, characterized by its stable semiconducting nature. As a material that resides on the convex hull, it exhibits the structural integrity required for rigorous investigation in solid-state physics and materials science.
This compound serves as a critical subject for researchers studying electronic transport and topological phenomena. Its unique composition allows it to function within the broader landscape of chalcogenide-based technologies, where stable, predictable semiconducting behavior is essential for device development.
Key Properties
Cross-validated computational properties for BiTeCl, 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 BiTeCl, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 1.51 | 0.0000 | -30.680 | 5.94 |
| C2/m (No. 12) | Monoclinic | — | — | — | 9.74 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.39 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.74 |
| P63mc (No. 186) | — | — | — | — | — |
Applications
Where BiTeCl is used.
Frequently Asked Questions
Common questions about BiTeCl, answered from cross-validated data.
What is BiTeCl?
BiTeCl is a stable, semiconducting bismuth-based chalcogenide halide used in advanced materials research.
What is BiTeCl used for?
What is the band gap of BiTeCl?
Is BiTeCl a metal, semiconductor, or insulator?
Is BiTeCl thermodynamically stable?
What is the crystal structure of BiTeCl?
What is the density of BiTeCl?
How many polymorphs of BiTeCl are known?
What elements does BiTeCl contain?
Where does the data for BiTeCl come from?
How It Compares
Within the bismuth chalcogenide thermoelectrics class.
Unlike the more widely recognized binary chalcogenides such as Bi2Te3 or Bi2Se3, BiTeCl incorporates a halide component that modifies its structural and electronic landscape. While Bi2Te3 is a classic benchmark for thermoelectric performance, BiTeCl offers a different structural motif that expands the chemical space available for tuning transport properties within the bismuth chalcogenide class.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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