C6Cu1Fe1N6Na2
C6Cu1Fe1N6Na2 has a DFT band gap of Metallic / not reported across 1 reported structure in 1 space group. Cross-validated across 1 computational databases.
At a glance
Key Properties
Cross-validated computational properties for C6Cu1Fe1N6Na2, aggregated across 1 database.
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.
Metallic / not reported
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.
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Best (lowest) across sources
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.
Not assessed
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
1
1 database, 1 space group
Reference
Frequently Asked Questions
Common questions about C6Cu1Fe1N6Na2, answered from cross-validated data.
What is the band gap of C6Cu1Fe1N6Na2?
C6Cu1Fe1N6Na2 is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is C6Cu1Fe1N6Na2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
What elements does C6Cu1Fe1N6Na2 contain?
C6Cu1Fe1N6Na2 contains C, Cu, Fe, N, and Na (5 elements).
Where does the data for C6Cu1Fe1N6Na2 come from?
C6Cu1Fe1N6Na2 data is cross-referenced from latticegraph.
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Related Compounds
Other Prussian Blue Analogues in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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