H2CN5
H2CN5 is a nitrogen-rich insulating compound that exists in a metastable state and is primarily studied for its structural and electronic properties.
About H2CN5
H2CN5 is a complex nitrogen-rich compound composed of carbon, hydrogen, and nitrogen. As a wide-band-gap insulator, it exhibits distinct electronic characteristics that distinguish it from typical conductive materials. Its structural configuration is of significant interest for fundamental research into high-nitrogen systems.
Due to its position above the thermodynamic hull, this material is considered metastable or unstable under standard conditions. While it is not currently utilized in mainstream industrial technologies, it serves as a critical subject for theoretical studies regarding the synthesis and stability of nitrogen-heavy molecular frameworks.
Key Properties
Cross-validated computational properties for H2CN5, 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.
Reported Structures
Lowest-energy structures reported for H2CN5, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 4.12 | 0.1618 | -7.250 | 1.65 |
| No. 0 | unknown | — | — | — | 0.41 |
| P-1 (No. 2) | triclinic | — | — | — | 0.88 |
| Pbca (No. 61) | orthorhombic | — | — | — | 0.22 |
| C2/c (No. 15) | Monoclinic | — | — | — | 1.65 |
| C2/c (No. 15) | Monoclinic | — | — | — | 1.66 |
| C2/c (No. 15) | Monoclinic | — | — | — | 1.69 |
Frequently Asked Questions
Common questions about H2CN5, answered from cross-validated data.
What is H2CN5?
H2CN5 is a nitrogen-rich insulating compound that exists in a metastable state and is primarily studied for its structural and electronic properties.
What is the band gap of H2CN5?
Is H2CN5 a metal, semiconductor, or insulator?
Is H2CN5 thermodynamically stable?
What is the crystal structure of H2CN5?
What is the density of H2CN5?
How many polymorphs of H2CN5 are known?
What elements does H2CN5 contain?
Where does the data for H2CN5 come from?
How It Compares
As an unclassified compound with a unique stoichiometry, H2CN5 represents a specialized area of chemical exploration. Without established siblings in a defined class, it stands as a singular case study for researchers investigating the limits of nitrogen-rich insulating materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
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