Hg2P2S7
Hg2P2S7 is a thermodynamically stable semiconducting mercury chalcophosphate used in materials research.
About Hg2P2S7
Hg2P2S7 is a complex mercury-based chalcophosphate that exhibits semiconducting electronic properties. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within the mercury-phosphorus-sulfur ternary system. Its structural integrity makes it a subject of interest for researchers investigating the interplay between heavy metal cations and chalcophosphate frameworks. The compound is characterized by a well-defined atomic structure that has been documented across multiple crystallographic databases, reflecting its significance in solid-state chemistry. It serves as a model system for understanding how mercury coordination environments influence the electronic band structure of non-oxide semiconductors.
Key Properties
Cross-validated computational properties for Hg2P2S7, 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.
Applications
Where Hg2P2S7 is used.
Frequently Asked Questions
Common questions about Hg2P2S7, answered from cross-validated data.
What is Hg2P2S7?
Hg2P2S7 is a thermodynamically stable semiconducting mercury chalcophosphate used in materials research.
What is Hg2P2S7 used for?
What is the band gap of Hg2P2S7?
Is Hg2P2S7 a metal, semiconductor, or insulator?
Is Hg2P2S7 thermodynamically stable?
How many polymorphs of Hg2P2S7 are known?
What elements does Hg2P2S7 contain?
Where does the data for Hg2P2S7 come from?
How It Compares
As a distinct mercury-containing chalcophosphate, Hg2P2S7 occupies a specialized niche in inorganic materials science. While many complex sulfides are prone to instability, this compound stands out due to its thermodynamic stability, providing a reliable platform for studying the semiconducting behavior inherent to its specific atomic configuration.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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