B8Li8Si16
B8Li8Si16 is a thermodynamically stable, semiconducting ternary compound consisting of boron, lithium, and silicon.
About B8Li8Si16
B8Li8Si16 is a complex ternary compound composed of boron, lithium, and silicon. As a thermodynamically stable material situated on the convex hull, it represents a robust structural arrangement of these elements that maintains integrity under standard conditions. Its electronic character is defined as semiconducting, making it an intriguing candidate for specialized electronic and optoelectronic research. The existence of multiple reported structures across various databases highlights its structural versatility and the ongoing interest in its atomic configuration. This compound serves as a significant subject for researchers investigating the interplay between light elements and silicon-based frameworks. Its stability suggests potential for integration into systems where consistent material performance is required, particularly in fields exploring new semiconductor architectures.
Key Properties
Cross-validated computational properties for B8Li8Si16, 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 B8Li8Si16, 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. |
|---|---|---|---|---|---|
| P42/nmc (No. 137) | tetragonal | 1.17 | 0.0000 | -5.003 | 2.40 |
| P42/nmc (No. 137) | — | — | — | — | — |
| — | — | — | — | — | 2.37 |
| — | — | — | — | — | 1.85 |
Applications
Where B8Li8Si16 is used.
Frequently Asked Questions
Common questions about B8Li8Si16, answered from cross-validated data.
What is B8Li8Si16?
B8Li8Si16 is a thermodynamically stable, semiconducting ternary compound consisting of boron, lithium, and silicon.
What is B8Li8Si16 used for?
What is the band gap of B8Li8Si16?
Is B8Li8Si16 a metal, semiconductor, or insulator?
Is B8Li8Si16 thermodynamically stable?
What is the crystal structure of B8Li8Si16?
What is the density of B8Li8Si16?
How many polymorphs of B8Li8Si16 are known?
What elements does B8Li8Si16 contain?
Where does the data for B8Li8Si16 come from?
How It Compares
As a unique ternary phase, B8Li8Si16 occupies a distinct position in materials science, representing a specialized intersection of boride and silicide chemistry. Without direct structural siblings in its immediate class, it stands as a singular example of how lithium incorporation can stabilize complex boron-silicon frameworks, offering a baseline for future investigations into similar multi-element systems.
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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