Se4Si2
Se4Si2 is a stable, semiconducting silicon-selenium compound used in materials research for potential energy storage applications.
About Se4Si2
Se4Si2 is a semiconducting compound within the silicon anode materials class. Its position on the convex hull indicates high thermodynamic stability, making it a robust candidate for structural investigations in materials science. With significant data richness across multiple databases, it serves as a key subject for understanding silicon-chalcogen interactions.
This material is primarily studied for its electronic behavior and potential utility in electrochemical applications. Its unique composition allows researchers to explore how silicon-based frameworks can be tuned for energy storage, leveraging its stable nature to withstand the rigorous conditions often required for anode performance.
Key Properties
Cross-validated computational properties for Se4Si2, aggregated across 4 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 Se4Si2, 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 | 2.48 | 0.0000 | -12.984 | 3.58 |
| Ibam (No. 72) | orthorhombic | 2.17 | 0.0042 | -12.980 | 3.37 |
| Ibam (No. 72) | orthorhombic | 1.90 | 0.0057 | -12.979 | 3.30 |
| I4/mcm (No. 140) | tetragonal | 1.94 | 0.0106 | -12.974 | 3.15 |
| Ibam (No. 72) | orthorhombic | 1.85 | 0.6993 | -12.285 | 2.57 |
| Imma (No. 74) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
| Ibam (No. 72) | — | — | — | — | — |
| Ibam (No. 72) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
Applications
Where Se4Si2 is used.
Frequently Asked Questions
Common questions about Se4Si2, answered from cross-validated data.
What is Se4Si2?
Se4Si2 is a stable, semiconducting silicon-selenium compound used in materials research for potential energy storage applications.
What is Se4Si2 used for?
What is the band gap of Se4Si2?
Is Se4Si2 a metal, semiconductor, or insulator?
Is Se4Si2 thermodynamically stable?
What is the crystal structure of Se4Si2?
What is the density of Se4Si2?
How many polymorphs of Se4Si2 are known?
What elements does Se4Si2 contain?
Where does the data for Se4Si2 come from?
How It Compares
Within the silicon anode materials class.
Unlike metallic or highly conductive silicides such as FeSi or MoSi2, Se4Si2 functions as a semiconductor, offering a distinct electronic profile compared to the more traditional metallic silicides or the elemental silicon standard. Its stability profile makes it a compelling alternative to compounds like Mg2Si or NaSi, providing a different chemical environment for silicon atoms that may be advantageous in specific electrochemical architectures.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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