SiP2
SiP2 is a stable semiconducting compound composed of silicon and phosphorus that is frequently studied for its structural and electronic properties.
About SiP2
SiP2 is a silicon-phosphorus compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of these two elements, making it a subject of significant interest for materials research.
With a high degree of structural diversity reported across multiple databases, this compound serves as a key reference point for understanding silicon-phosphide chemistry. Its stability suggests potential for integration into specialized electronic or optoelectronic applications where reliable material performance is required.
Key Properties
Cross-validated computational properties for SiP2, 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 SiP2, 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 | 1.43 | 0.0000 | -9.068 | 2.28 |
| Pa-3 (No. 205) | cubic | 0.00 | 0.0153 | -9.053 | 3.19 |
| C2 (No. 5) | Monoclinic | — | — | — | 2.36 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.69 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.89 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.33 |
| P1 (No. 1) | Triclinic | — | — | — | 3.38 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.24 |
| P1 (No. 1) | Triclinic | — | — | — | 2.01 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 4.31 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 2.50 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.74 |
Applications
Where SiP2 is used.
Frequently Asked Questions
Common questions about SiP2, answered from cross-validated data.
What is SiP2?
SiP2 is a stable semiconducting compound composed of silicon and phosphorus that is frequently studied for its structural and electronic properties.
What is SiP2 used for?
What is the band gap of SiP2?
Is SiP2 a metal, semiconductor, or insulator?
Is SiP2 thermodynamically stable?
What is the crystal structure of SiP2?
What is the density of SiP2?
How many polymorphs of SiP2 are known?
What elements does SiP2 contain?
Where does the data for SiP2 come from?
How It Compares
As a thermodynamically stable semiconductor, SiP2 occupies a distinct position in the landscape of binary silicon-phosphorus materials. Its presence on the convex hull highlights its structural integrity compared to less stable phases, positioning it as a primary candidate for fundamental studies in semiconductor physics.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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