Ca2Co12P7
Ca2Co12P7 is a thermodynamically stable metallic ternary phosphide used in materials science research.
About Ca2Co12P7
Ca2Co12P7 is a metallic phosphide that belongs to the broader family of skutterudite-related materials. Its position on the convex hull confirms that it is a thermodynamically stable phase, making it a reliable subject for structural and electronic investigations within the phosphide class. As a metallic compound, it serves as an important reference point for understanding charge transport in complex transition metal phosphide networks. Its structural integrity across multiple databases highlights its significance in solid-state chemistry and materials science research.
Key Properties
Cross-validated computational properties for Ca2Co12P7, aggregated across 5 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 Ca2Co12P7 is used.
Frequently Asked Questions
Common questions about Ca2Co12P7, answered from cross-validated data.
What is Ca2Co12P7?
Ca2Co12P7 is a thermodynamically stable metallic ternary phosphide used in materials science research.
What is Ca2Co12P7 used for?
What is the band gap of Ca2Co12P7?
Is Ca2Co12P7 a metal, semiconductor, or insulator?
Is Ca2Co12P7 thermodynamically stable?
How many polymorphs of Ca2Co12P7 are known?
What elements does Ca2Co12P7 contain?
Where does the data for Ca2Co12P7 come from?
How It Compares
Within the skutterudite thermoelectrics class.
Within the diverse group of phosphides such as FeP2, CoP2, and NiP2, Ca2Co12P7 occupies a distinct structural niche. Unlike many of its binary counterparts like FeP or NiP, this ternary calcium-cobalt-phosphide exhibits a more complex arrangement that distinguishes it from simpler skutterudite-like structures, offering unique insights into how calcium integration influences the electronic environment of cobalt-phosphide frameworks.
Related Compounds
Other Skutterudite Thermoelectrics in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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