CaN3Tc
CaN3Tc is a stable, semiconducting inorganic compound containing calcium, nitrogen, and technetium.
About CaN3Tc
CaN3Tc is a complex inorganic compound composed of calcium, nitrogen, and technetium. It is recognized for its status as a thermodynamically stable material, appearing on the convex hull, which suggests a robust structural configuration under standard conditions. The material exhibits semiconducting electronic characteristics, making it an interesting subject for fundamental research into the behavior of technetium-based nitrides. Its existence across multiple databases highlights its significance in computational materials science.
Key Properties
Cross-validated computational properties for CaN3Tc, 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.
Frequently Asked Questions
Common questions about CaN3Tc, answered from cross-validated data.
What is CaN3Tc?
CaN3Tc is a stable, semiconducting inorganic compound containing calcium, nitrogen, and technetium.
What is the band gap of CaN3Tc?
Is CaN3Tc a metal, semiconductor, or insulator?
Is CaN3Tc thermodynamically stable?
How many polymorphs of CaN3Tc are known?
What elements does CaN3Tc contain?
Where does the data for CaN3Tc come from?
How It Compares
As a unique ternary compound, CaN3Tc occupies a distinct space in materials research, serving as a representative example of stable technetium-containing nitrides that warrant further experimental investigation.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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