Br3CsIn
Br3CsIn is a stable, semiconducting ternary halide compound composed of cesium, indium, and bromine.
About Br3CsIn
Br3CsIn is a semiconducting inorganic compound composed of cesium, indium, and bromine. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.
This material is of significant interest for researchers investigating halide-based semiconductors. Its electronic character suggests potential utility in optoelectronic applications where stable, semiconducting inorganic frameworks are required for device performance.
Key Properties
Cross-validated computational properties for Br3CsIn, 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 Br3CsIn, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 1.38 | 0.0000 | -3.262 | 4.24 |
| P4mm (No. 99) | tetragonal | 0.00 | 0.0190 | -3.243 | 4.20 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0244 | -3.237 | 4.39 |
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Applications
Where Br3CsIn is used.
Frequently Asked Questions
Common questions about Br3CsIn, answered from cross-validated data.
What is Br3CsIn?
Br3CsIn is a stable, semiconducting ternary halide compound composed of cesium, indium, and bromine.
What is Br3CsIn used for?
What is the band gap of Br3CsIn?
Is Br3CsIn a metal, semiconductor, or insulator?
Is Br3CsIn thermodynamically stable?
What is the crystal structure of Br3CsIn?
What is the density of Br3CsIn?
How many polymorphs of Br3CsIn are known?
What elements does Br3CsIn contain?
Where does the data for Br3CsIn come from?
How It Compares
As a distinct halide compound, Br3CsIn serves as a foundational example of ternary indium-based systems. It occupies a stable position within the chemical space of its constituent elements, providing a benchmark for structural and electronic properties in the development of new semiconductor materials.
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).
- alexandria — Data from alexandria.
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