Li3CrPCO7
Li3CrPCO7 is a complex, metastable transition-metal phosphate that functions as an electrical insulator.
About Li3CrPCO7
Li3CrPCO7 belongs to the diverse family of transition-metal phosphates, representing a complex inorganic framework that incorporates lithium, chromium, phosphorus, carbon, and oxygen. As a wide-gap insulator, its electronic structure is defined by localized states that distinguish it from more conductive metallic or semi-metallic materials.
While this compound is classified as metastable, its existence within structural databases highlights its importance in fundamental materials research. It serves as a model for understanding how transition metals coordinate within phosphate-based anion networks to influence overall structural stability and potential ion mobility.
Key Properties
Cross-validated computational properties for Li3CrPCO7, 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 Li3CrPCO7 is used.
Frequently Asked Questions
Common questions about Li3CrPCO7, answered from cross-validated data.
What is Li3CrPCO7?
Li3CrPCO7 is a complex, metastable transition-metal phosphate that functions as an electrical insulator.
What is Li3CrPCO7 used for?
What is the band gap of Li3CrPCO7?
Is Li3CrPCO7 a metal, semiconductor, or insulator?
Is Li3CrPCO7 thermodynamically stable?
How many polymorphs of Li3CrPCO7 are known?
What elements does Li3CrPCO7 contain?
Where does the data for Li3CrPCO7 come from?
How It Compares
Within the transition-metal phosphates class.
Within the broader class of transition-metal phosphates, Li3CrPCO7 occupies a distinct niche compared to well-known battery materials like LiFePO4 or LiMnPO4. Unlike these standard olivine-structured cathodes, which are prized for their thermodynamic stability and reversible cycling, Li3CrPCO7 represents a more exotic composition that challenges traditional structural paradigms found in simpler systems like LiCrP2O7.
Related Compounds
Other Transition-Metal Phosphates in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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