CuPO4
CuPO4 is a thermodynamically stable transition-metal phosphate semiconductor used in materials science research.
About CuPO4
CuPO4 is a transition-metal phosphate that exists as a thermodynamically stable phase on the convex hull. As a semiconducting material, it represents a significant structural member of the phosphate family, characterized by its well-defined crystalline arrangements and robust chemical bonding. Its stability makes it an intriguing subject for fundamental investigations into the behavior of copper-based polyanionic frameworks. The material is primarily utilized in academic and industrial research settings focused on exploring new pathways for energy storage and electronic components. Its ability to maintain structural integrity under various conditions positions it as a valuable candidate for studying the interplay between transition metal centers and phosphate groups in complex oxide systems.
Key Properties
Cross-validated computational properties for CuPO4, aggregated across 2 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 CuPO4 is used.
Frequently Asked Questions
Common questions about CuPO4, answered from cross-validated data.
What is CuPO4?
CuPO4 is a thermodynamically stable transition-metal phosphate semiconductor used in materials science research.
What is CuPO4 used for?
What is the band gap of CuPO4?
Is CuPO4 a metal, semiconductor, or insulator?
Is CuPO4 thermodynamically stable?
How many polymorphs of CuPO4 are known?
What elements does CuPO4 contain?
Where does the data for CuPO4 come from?
How It Compares
Within the transition-metal phosphates class.
Within the broader class of transition-metal phosphates, CuPO4 occupies a distinct niche compared to well-known battery cathode materials like LiFePO4 or LiMnPO4. While its siblings are frequently optimized for lithium-ion intercalation, CuPO4 provides a different structural perspective on how copper ions influence the electronic and geometric properties of the phosphate network, contrasting with the more widely commercialized iron and manganese counterparts.
Related Compounds
Other Transition-Metal Phosphates in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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