Ca7ZrN6
Ca7ZrN6 is a metastable, semiconducting ternary nitride containing calcium and zirconium atoms.
About Ca7ZrN6
Ca7ZrN6 is a complex nitride compound composed of calcium, zirconium, and nitrogen. As a semiconducting material, it represents a specialized niche in inorganic chemistry where structural complexity often dictates unique electronic properties.
Because it is a metastable phase, this compound is of particular interest to researchers studying synthesis pathways and kinetic stabilization. Its existence across multiple databases highlights its importance as a subject of ongoing experimental and computational investigation.
Key Properties
Cross-validated computational properties for Ca7ZrN6, aggregated across 3 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 Ca7ZrN6 is used.
Frequently Asked Questions
Common questions about Ca7ZrN6, answered from cross-validated data.
What is Ca7ZrN6?
Ca7ZrN6 is a metastable, semiconducting ternary nitride containing calcium and zirconium atoms.
What is Ca7ZrN6 used for?
What is the band gap of Ca7ZrN6?
Is Ca7ZrN6 a metal, semiconductor, or insulator?
Is Ca7ZrN6 thermodynamically stable?
How many polymorphs of Ca7ZrN6 are known?
What elements does Ca7ZrN6 contain?
Where does the data for Ca7ZrN6 come from?
How It Compares
As a unique nitride phase, Ca7ZrN6 occupies a distinct position in the landscape of ternary calcium-zirconium-nitrogen materials. It serves as a critical reference point for understanding the phase stability and electronic behavior of nitrogen-rich compounds that do not follow standard stoichiometric trends.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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