P2S7
P2S7 is a thermodynamically stable, semiconducting phosphorus sulfide compound.
About P2S7
P2S7 is a phosphorus-sulfur compound that exists as a thermodynamically stable phase on the convex hull. As a semiconducting material, it represents a distinct chemical composition within the phosphorus sulfide family, characterized by its ability to maintain structural integrity across various reported configurations. Its electronic properties make it a subject of interest for fundamental studies in chalcogenide chemistry. The material is notable for its structural diversity, with multiple reported configurations documented across major materials databases. This richness in structural data underscores its importance in understanding the bonding behaviors and phase stability of phosphorus-rich sulfides.
Key Properties
Cross-validated computational properties for P2S7, 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.
Frequently Asked Questions
Common questions about P2S7, answered from cross-validated data.
What is P2S7?
P2S7 is a thermodynamically stable, semiconducting phosphorus sulfide compound.
What is the band gap of P2S7?
Is P2S7 a metal, semiconductor, or insulator?
Is P2S7 thermodynamically stable?
How many polymorphs of P2S7 are known?
What elements does P2S7 contain?
Where does the data for P2S7 come from?
How It Compares
As a member of the phosphorus sulfide family, P2S7 occupies a unique position due to its high thermodynamic stability. While many binary sulfides in this class exhibit varying degrees of volatility or structural complexity, this compound stands out for its consistent presence on the convex hull, serving as a reliable reference point for researchers investigating the electronic and structural landscape of phosphorus-sulfur systems.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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