Cl24N2Nb2P4
Cl24N2Nb2P4 is a thermodynamically stable semiconducting inorganic compound composed of niobium, phosphorus, nitrogen, and chlorine.
About Cl24N2Nb2P4
Cl24N2Nb2P4 is a complex inorganic compound characterized by its semiconducting electronic nature. As a thermodynamically stable material residing on the convex hull, it represents a robust structural configuration that is of significant interest for fundamental research into multi-element coordination environments.
Its unique composition, involving niobium, phosphorus, nitrogen, and chlorine, suggests a specialized role in chemical synthesis or as a precursor in materials engineering. The existence of multiple reported structures across databases highlights its structural versatility and the ongoing scientific interest in its atomic arrangement.
Key Properties
Cross-validated computational properties for Cl24N2Nb2P4, 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 Cl24N2Nb2P4, 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 | 2.43 | 0.0000 | -4.571 | 2.02 |
| C2/c (No. 15) | — | — | — | — | — |
| — | — | — | — | — | 1.94 |
Applications
Where Cl24N2Nb2P4 is used.
Frequently Asked Questions
Common questions about Cl24N2Nb2P4, answered from cross-validated data.
What is Cl24N2Nb2P4?
Cl24N2Nb2P4 is a thermodynamically stable semiconducting inorganic compound composed of niobium, phosphorus, nitrogen, and chlorine.
What is Cl24N2Nb2P4 used for?
What is the band gap of Cl24N2Nb2P4?
Is Cl24N2Nb2P4 a metal, semiconductor, or insulator?
Is Cl24N2Nb2P4 thermodynamically stable?
What is the crystal structure of Cl24N2Nb2P4?
What is the density of Cl24N2Nb2P4?
How many polymorphs of Cl24N2Nb2P4 are known?
What elements does Cl24N2Nb2P4 contain?
Where does the data for Cl24N2Nb2P4 come from?
How It Compares
As a unique inorganic assembly, Cl24N2Nb2P4 serves as a distinct example of complex halide-phosphide-nitride chemistry. Without direct structural analogs in this specific chemical space, it stands as a singular reference point for exploring the interplay between transition metals and non-metal ligands in stable, semiconducting solid-state architectures.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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