B2Cs6P4
B2Cs6P4 is a stable, semiconducting ternary compound containing boron, cesium, and phosphorus.
About B2Cs6P4
B2Cs6P4 is a complex ternary compound composed of boron, cesium, and phosphorus. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions. Its electronic character as a semiconductor makes it an intriguing candidate for specialized solid-state applications where specific band structures are required. The existence of multiple reported structures across databases highlights its significance in the study of complex pnictide-based materials. Researchers value this compound for its predictable stability, which allows for reliable synthesis and characterization in experimental settings. By bridging the properties of alkali metals with boron-phosphorus frameworks, it serves as a unique platform for exploring new semiconducting architectures.
Key Properties
Cross-validated computational properties for B2Cs6P4, 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 B2Cs6P4, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 1.70 | 0.0000 | -17.334 | 3.49 |
| C2/c (No. 15) | — | — | — | — | — |
| — | — | — | — | — | 2.78 |
Applications
Where B2Cs6P4 is used.
Frequently Asked Questions
Common questions about B2Cs6P4, answered from cross-validated data.
What is B2Cs6P4?
B2Cs6P4 is a stable, semiconducting ternary compound containing boron, cesium, and phosphorus.
What is B2Cs6P4 used for?
What is the band gap of B2Cs6P4?
Is B2Cs6P4 a metal, semiconductor, or insulator?
Is B2Cs6P4 thermodynamically stable?
What is the crystal structure of B2Cs6P4?
What is the density of B2Cs6P4?
How many polymorphs of B2Cs6P4 are known?
What elements does B2Cs6P4 contain?
Where does the data for B2Cs6P4 come from?
How It Compares
As a distinct ternary phase, B2Cs6P4 occupies a unique niche in materials science, offering a stable alternative to simpler binary phosphides or borides. While many related materials in this chemical space may suffer from instability or phase separation, this compound remains a reliable, well-defined structure that serves as a benchmark for understanding the interplay between large alkali cations and covalent boron-phosphorus networks.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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