SiAs2
Silicon diarsenide is a semiconductor material composed of silicon and arsenic. It is primarily utilized in specialized research for its electronic properties and potential utility in advanced optoelectronic devices.
Overview
Key Properties
Cross-validated computational properties for SiAs2, 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.
0.89 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
29
3 databases, 9 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for SiAs2, 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. |
|---|---|---|---|---|---|
| Pbam (No. 55) | orthorhombic | 0.89 | 0.0000 | -12.839 | 3.99 |
| Pa-3 (No. 205) | cubic | 0.00 | 0.1178 | -12.721 | 5.20 |
| P1 (No. 1) | Triclinic | — | — | — | 1.88 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.43 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.57 |
| Pa-3 (No. 205) | — | — | — | — | — |
| Pbam (No. 55) | — | — | — | — | — |
| Pbam (No. 55) | Orthorhombic | — | — | — | 4.23 |
| Pbam (No. 55) | Orthorhombic | — | — | — | 4.16 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.76 |
| P1 (No. 1) | Triclinic | — | — | — | 2.74 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.52 |
Uses
Applications
Where SiAs2 is used.
Semiconductor researchOptoelectronicsMaterials science studies
Reference
Frequently Asked Questions
Common questions about SiAs2, answered from cross-validated data.
What is SiAs2?
Silicon diarsenide is a semiconductor material composed of silicon and arsenic. It is primarily utilized in specialized research for its electronic properties and potential utility in advanced optoelectronic devices.
More questions
What is SiAs2 used for?
SiAs2 is used in semiconductor research, optoelectronics, and materials science studies.
What is the band gap of SiAs2?
SiAs2 has a DFT-computed band gap of 0.89 eV across 29 reported structures.
Is SiAs2 a metal, semiconductor, or insulator?
With a band gap up to 0.89 eV it is a semiconductor.
Is SiAs2 thermodynamically stable?
Yes — SiAs2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of SiAs2?
The lowest-energy reported polymorph of SiAs2 is orthorhombic symmetry, space group Pbam (No. 55).
What is the density of SiAs2?
The computed density of the ground-state structure of SiAs2 is 3.99 g/cm³.
How many polymorphs of SiAs2 are known?
29 structures of SiAs2 are reported across 3 databases, spanning 9 distinct space groups.
What elements does SiAs2 contain?
SiAs2 contains As and Si (2 elements).
Where does the data for SiAs2 come from?
SiAs2 data is cross-referenced from materials_project, mpaloe, jarvis.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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