Se4Si2
Silicon selenide is a semiconductor material composed of silicon and selenium. It is primarily studied for its potential utility in optoelectronic devices and thin-film solar cell research.
Overview
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.
1.85–2.48 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
41
4 databases, 14 space groups
Crystallography
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 |
| P63/mmc (No. 194) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Imma (No. 74) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Ibam (No. 72) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
Uses
Applications
Where Se4Si2 is used.
OptoelectronicsPhotovoltaic researchSemiconductor device development
Reference
Frequently Asked Questions
Common questions about Se4Si2, answered from cross-validated data.
What is Se4Si2?
Silicon selenide is a semiconductor material composed of silicon and selenium. It is primarily studied for its potential utility in optoelectronic devices and thin-film solar cell research.
More questions
What is Se4Si2 used for?
Se4Si2 is used in optoelectronics, photovoltaic research, and semiconductor device development.
What is the band gap of Se4Si2?
Se4Si2 has a DFT-computed band gap of 1.85–2.48 eV across 41 reported structures.
Is Se4Si2 a metal, semiconductor, or insulator?
With a band gap up to 2.48 eV it is a semiconductor.
Is Se4Si2 thermodynamically stable?
Yes — Se4Si2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Se4Si2?
The lowest-energy reported polymorph of Se4Si2 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Se4Si2?
The computed density of the ground-state structure of Se4Si2 is 3.58 g/cm³.
How many polymorphs of Se4Si2 are known?
41 structures of Se4Si2 are reported across 4 databases, spanning 14 distinct space groups.
What elements does Se4Si2 contain?
Se4Si2 contains Se and Si (2 elements).
Where does the data for Se4Si2 come from?
Se4Si2 data is cross-referenced from materials_project, aflow.
Explore
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).
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