N4Cl
N4Cl is a semiconducting, nitrogen-rich compound that exists as a metastable phase with a diverse range of potential structural configurations.
About N4Cl
N4Cl is a nitrogen-rich compound characterized by its semiconducting electronic nature. Its composition reflects a complex arrangement of nitrogen atoms bonded with chlorine, representing a unique stoichiometry that has been explored through various structural configurations.
Due to its position above the thermodynamic hull, N4Cl is considered a metastable phase. Its existence across multiple reported structures highlights the intricate structural landscape of nitrogen-halogen materials, serving as a subject of interest for fundamental studies in high-energy density materials.
Key Properties
Cross-validated computational properties for N4Cl, aggregated across 2 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 N4Cl, 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. |
|---|---|---|---|---|---|
| P21 (No. 4) | monoclinic | 0.23 | 0.3608 | -8.173 | 1.84 |
| P212121 (No. 19) | orthorhombic | 0.23 | 0.8933 | -7.640 | 2.05 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.94 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.32 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.83 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.01 |
| P1 (No. 1) | Triclinic | — | — | — | 2.78 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.33 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.05 |
| P-42m (No. 111) | Tetragonal | — | — | — | 3.97 |
| P1 (No. 1) | Triclinic | — | — | — | 2.95 |
| P-42m (No. 111) | Tetragonal | — | — | — | 3.18 |
Applications
Where N4Cl is used.
Frequently Asked Questions
Common questions about N4Cl, answered from cross-validated data.
What is N4Cl?
N4Cl is a semiconducting, nitrogen-rich compound that exists as a metastable phase with a diverse range of potential structural configurations.
What is N4Cl used for?
What is the band gap of N4Cl?
Is N4Cl a metal, semiconductor, or insulator?
Is N4Cl thermodynamically stable?
What is the crystal structure of N4Cl?
What is the density of N4Cl?
How many polymorphs of N4Cl are known?
What elements does N4Cl contain?
Where does the data for N4Cl come from?
How It Compares
As a unique nitrogen-rich halide, N4Cl occupies a specialized position in materials science research. Unlike more conventional binary halides, its high nitrogen content and metastable nature distinguish it as a complex system that challenges standard structural stability predictions.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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