H16N16
H16N16 has a DFT band gap of 1.78–4.36 eV across 11 reported structures in 4 space groups. Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for H16N16, 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.
1.78–4.36 eV
Range across DFT structures
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.
0.148 eV/atom
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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
11
4 databases, 4 space groups
Reference
Frequently Asked Questions
Common questions about H16N16, answered from cross-validated data.
What is the band gap of H16N16?
H16N16 has a DFT-computed band gap of 1.78–4.36 eV across 11 reported structures.
More questions
Is H16N16 a metal, semiconductor, or insulator?
With a wide band gap up to 4.36 eV it is an insulator / wide-band-gap material.
Is H16N16 thermodynamically stable?
H16N16 has a lowest energy above hull of 0.148 eV/atom (above hull).
How many polymorphs of H16N16 are known?
11 structures of H16N16 are reported across 4 databases, spanning 4 distinct space groups.
What elements does H16N16 contain?
H16N16 contains H and N (2 elements).
Where does the data for H16N16 come from?
H16N16 data is cross-referenced from latticegraph.
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Related Compounds
Other Hydrogen Storage Hydrides in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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