Cl96N8P24
Cl96N8P24 is a thermodynamically stable, semiconducting inorganic compound composed of chlorine, nitrogen, and phosphorus.
About Cl96N8P24
Cl96N8P24 is a complex inorganic compound composed of chlorine, nitrogen, and phosphorus. As a thermodynamically stable material situated on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions.
The electronic character of this material is defined as semiconducting, which suggests potential utility in specialized electronic or optoelectronic applications. Its unique stoichiometry makes it a subject of interest for researchers investigating complex phosphorus-nitrogen-chlorine systems.
Key Properties
Cross-validated computational properties for Cl96N8P24, 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 Cl96N8P24, 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/c (No. 14) | monoclinic | 1.97 | 0.0000 | -3.994 | 2.05 |
| — | — | — | — | — | 1.82 |
| No. 0 | unknown | — | — | — | 0.54 |
Frequently Asked Questions
Common questions about Cl96N8P24, answered from cross-validated data.
What is Cl96N8P24?
Cl96N8P24 is a thermodynamically stable, semiconducting inorganic compound composed of chlorine, nitrogen, and phosphorus.
What is the band gap of Cl96N8P24?
Is Cl96N8P24 a metal, semiconductor, or insulator?
Is Cl96N8P24 thermodynamically stable?
What is the crystal structure of Cl96N8P24?
What is the density of Cl96N8P24?
How many polymorphs of Cl96N8P24 are known?
What elements does Cl96N8P24 contain?
Where does the data for Cl96N8P24 come from?
How It Compares
As a distinct inorganic compound, Cl96N8P24 occupies a unique niche in materials science. While it currently stands as a singular entry in its structural class, its thermodynamic stability distinguishes it as a reliable candidate for further experimental characterization compared to more transient or metastable phases.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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