Be3Si
Be3Si is a metallic beryllium silicide compound studied for its structural properties in the context of silicon-based anode materials.
About Be3Si
Be3Si is a metallic compound within the broader category of silicon-based anode materials. Its electronic character suggests conductive properties that are often sought after in energy storage research, though its position relative to the thermodynamic hull indicates it may be metastable or challenging to synthesize in pure form.
Despite its thermodynamic instability, the material has been subject to significant structural investigation, with numerous reported configurations across various databases. This extensive data footprint highlights its role as a subject of interest for researchers mapping the complex phase space of beryllium-silicon systems.
Key Properties
Cross-validated computational properties for Be3Si, aggregated across 5 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 Be3Si, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.2871 | -3.874 | 2.30 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.64 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 1.63 |
| Cm (No. 8) | Monoclinic | — | — | — | 1.50 |
| Cm (No. 8) | Monoclinic | — | — | — | 1.57 |
| P1 (No. 1) | Triclinic | — | — | — | 1.64 |
| — | — | — | — | — | 1.58 |
| — | — | — | — | — | 1.98 |
| Cmmm (No. 65) | — | — | — | — | — |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 1.12 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 1.12 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 1.43 |
Applications
Where Be3Si is used.
Frequently Asked Questions
Common questions about Be3Si, answered from cross-validated data.
What is Be3Si?
Be3Si is a metallic beryllium silicide compound studied for its structural properties in the context of silicon-based anode materials.
What is Be3Si used for?
What is the band gap of Be3Si?
Is Be3Si a metal, semiconductor, or insulator?
Is Be3Si thermodynamically stable?
What is the crystal structure of Be3Si?
What is the density of Be3Si?
How many polymorphs of Be3Si are known?
What elements does Be3Si contain?
Where does the data for Be3Si come from?
How It Compares
Within the silicon anode materials class.
Unlike the highly stable and widely utilized Si or the robust silicides such as MoSi2 and Mg2Si, Be3Si occupies a more precarious position in the thermodynamic landscape. While compounds like FeSi or BaSi2 are well-characterized for their specific electronic or structural roles, Be3Si remains a more speculative member of the silicon anode class, primarily serving as a point of comparison for structural diversity rather than a commercial standard.
Related Compounds
Other Silicon Anode Materials in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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