Cl11N3P4
Cl11N3P4 is a thermodynamically stable, semiconducting inorganic compound composed of phosphorus, nitrogen, and chlorine.
About Cl11N3P4
Cl11N3P4 is a complex inorganic compound composed of phosphorus, nitrogen, and chlorine. As a thermodynamically stable material situated on the convex hull, it represents a robust structural arrangement of these elements that maintains integrity under standard conditions.
This compound exhibits semiconducting electronic character, making it an intriguing subject for research into specialized electronic materials. Its unique stoichiometry suggests potential for nuanced chemical behavior in synthetic or materials science applications.
Key Properties
Cross-validated computational properties for Cl11N3P4, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Cl11N3P4. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for Cl11N3P4, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for Cl11N3P4, 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. |
|---|---|---|---|---|---|
| P2/c (No. 13) | monoclinic | 2.49 | 0.0085 | -4.686 | 1.51 |
| R3 (No. 146) | trigonal | 2.65 | 0.0129 | -4.682 | 1.89 |
| R3 (No. 146) | trigonal | 2.56 | — | -4.303 | 1.79 |
| R3 (No. 146) | trigonal | — | — | — | 2.01 |
Frequently Asked Questions
Common questions about Cl11N3P4, answered from cross-validated data.
What is Cl11N3P4?
Cl11N3P4 is a thermodynamically stable, semiconducting inorganic compound composed of phosphorus, nitrogen, and chlorine.
What is the band gap of Cl11N3P4?
Is Cl11N3P4 a metal, semiconductor, or insulator?
Is Cl11N3P4 thermodynamically stable?
What is the crystal structure of Cl11N3P4?
What is the density of Cl11N3P4?
How many polymorphs of Cl11N3P4 are known?
What elements does Cl11N3P4 contain?
Where does the data for Cl11N3P4 come from?
How It Compares
As a distinct inorganic compound, Cl11N3P4 serves as a unique entry point into the study of phosphorus-nitrogen-chlorine systems, representing a stable configuration that provides a baseline for understanding the electronic and structural properties of this specific chemical family.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- aflow — Data from AFLOW (aflow.org). Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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