P16Se20
P16Se20 is a semiconducting phosphorus selenide compound that is considered likely to be synthesizable due to its thermodynamic stability.
About P16Se20
P16Se20 is a semiconducting phosphorus selenide compound characterized by its unique atomic arrangement. Its position near the thermodynamic hull suggests that it is a viable target for experimental synthesis, holding potential for future electronic or optoelectronic applications.
As a member of the phosphorus-selenium system, this material contributes to the structural diversity of binary chalcogenides. Its electronic properties make it an intriguing subject for investigating charge transport in non-metallic inorganic frameworks.
Key Properties
Cross-validated computational properties for P16Se20, 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 P16Se20, 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. |
|---|---|---|---|---|---|
| Pna21 (No. 33) | orthorhombic | 1.84 | 0.0097 | -12.024 | 3.34 |
| — | — | — | — | — | 2.91 |
| Pna21 (No. 33) | — | — | — | — | — |
| Pna21 (No. 33) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.90 |
Applications
Where P16Se20 is used.
Frequently Asked Questions
Common questions about P16Se20, answered from cross-validated data.
What is P16Se20?
P16Se20 is a semiconducting phosphorus selenide compound that is considered likely to be synthesizable due to its thermodynamic stability.
What is P16Se20 used for?
What is the band gap of P16Se20?
Is P16Se20 a metal, semiconductor, or insulator?
Is P16Se20 thermodynamically stable?
What is the crystal structure of P16Se20?
What is the density of P16Se20?
How many polymorphs of P16Se20 are known?
What elements does P16Se20 contain?
Where does the data for P16Se20 come from?
How It Compares
As a distinct phosphorus selenide, P16Se20 serves as a unique data point within the broader landscape of binary phosphorus-chalcogen systems, representing a specific stoichiometry that bridges the gap between simpler binary phases and more complex amorphous networks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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