B4Cs4Se12
B4Cs4Se12 is a thermodynamically stable, semiconducting inorganic compound composed of boron, cesium, and selenium.
About B4Cs4Se12
B4Cs4Se12 is a complex ternary chalcogenide that exhibits semiconducting electronic behavior. Its position on the convex hull confirms that it is a thermodynamically stable phase, making it a robust candidate for fundamental research into boron-cesium-selenium systems.
Because of its unique structural arrangement, this compound serves as a key subject for investigating the interplay between boron-based frameworks and heavy chalcogenide networks. It is primarily utilized in solid-state chemistry studies aimed at expanding the library of stable, semiconducting inorganic materials.
Key Properties
Cross-validated computational properties for B4Cs4Se12, 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 B4Cs4Se12, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 1.72 | 0.0000 | -4.469 | 4.26 |
| — | — | — | — | — | 3.21 |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where B4Cs4Se12 is used.
Frequently Asked Questions
Common questions about B4Cs4Se12, answered from cross-validated data.
What is B4Cs4Se12?
B4Cs4Se12 is a thermodynamically stable, semiconducting inorganic compound composed of boron, cesium, and selenium.
What is B4Cs4Se12 used for?
What is the band gap of B4Cs4Se12?
Is B4Cs4Se12 a metal, semiconductor, or insulator?
Is B4Cs4Se12 thermodynamically stable?
What is the crystal structure of B4Cs4Se12?
What is the density of B4Cs4Se12?
How many polymorphs of B4Cs4Se12 are known?
What elements does B4Cs4Se12 contain?
Where does the data for B4Cs4Se12 come from?
How It Compares
As a distinct ternary phase, B4Cs4Se12 represents a specialized structural motif within the broader landscape of boron-cesium-selenium compounds. It stands out for its inherent thermodynamic stability, which provides a reliable baseline for researchers exploring the electronic and optical properties of complex chalcogenide frameworks.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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