B2P4Rb6
B2P4Rb6 is a stable, semiconducting ternary compound consisting of boron, phosphorus, and rubidium.
About B2P4Rb6
B2P4Rb6 is a complex inorganic compound composed of boron, phosphorus, and rubidium. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement within its chemical system.
The material exhibits semiconducting electronic characteristics, making it an interesting candidate for specialized electronic or optoelectronic applications. Its existence across multiple databases underscores its significance in materials research as a well-defined crystalline phase.
Key Properties
Cross-validated computational properties for B2P4Rb6, 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 B2P4Rb6, 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 | 1.59 | 0.0000 | -3.783 | 2.78 |
| — | — | — | — | — | 2.57 |
| C2/c (No. 15) | — | — | — | — | — |
Frequently Asked Questions
Common questions about B2P4Rb6, answered from cross-validated data.
What is B2P4Rb6?
B2P4Rb6 is a stable, semiconducting ternary compound consisting of boron, phosphorus, and rubidium.
What is the band gap of B2P4Rb6?
Is B2P4Rb6 a metal, semiconductor, or insulator?
Is B2P4Rb6 thermodynamically stable?
What is the crystal structure of B2P4Rb6?
What is the density of B2P4Rb6?
How many polymorphs of B2P4Rb6 are known?
What elements does B2P4Rb6 contain?
Where does the data for B2P4Rb6 come from?
How It Compares
As a unique ternary compound, B2P4Rb6 serves as a foundational example of how boron and phosphorus can be integrated with alkali metals like rubidium to form stable, semiconducting 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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