Ca4N4O8Ta4
Ca4N4O8Ta4 is a semiconducting quaternary oxynitride that is considered a promising candidate for synthesis due to its favorable thermodynamic stability.
About Ca4N4O8Ta4
Ca4N4O8Ta4 is a complex oxynitride featuring calcium, nitrogen, oxygen, and tantalum. As a semiconducting material, it occupies a unique space in solid-state chemistry, bridging the properties of traditional oxides and nitrides.
Its status as a near-hull compound suggests it is a viable candidate for experimental synthesis. With multiple structural reports across various databases, it represents a significant point of study for researchers exploring novel inorganic frameworks.
Key Properties
Cross-validated computational properties for Ca4N4O8Ta4, 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 Ca4N4O8Ta4 is used.
Frequently Asked Questions
Common questions about Ca4N4O8Ta4, answered from cross-validated data.
What is Ca4N4O8Ta4?
Ca4N4O8Ta4 is a semiconducting quaternary oxynitride that is considered a promising candidate for synthesis due to its favorable thermodynamic stability.
What is Ca4N4O8Ta4 used for?
What is the band gap of Ca4N4O8Ta4?
Is Ca4N4O8Ta4 a metal, semiconductor, or insulator?
Is Ca4N4O8Ta4 thermodynamically stable?
How many polymorphs of Ca4N4O8Ta4 are known?
What elements does Ca4N4O8Ta4 contain?
Where does the data for Ca4N4O8Ta4 come from?
How It Compares
As a specialized oxynitride, this compound serves as a distinct example of how integrating nitrogen into a tantalum-based oxide lattice can tune electronic behavior. It functions as a foundational model for understanding the stability and semiconducting potential of complex quaternary systems in this chemical family.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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