Cl6N2Pr4
Cl6N2Pr4 is a thermodynamically stable, insulating inorganic compound containing praseodymium, nitrogen, and chlorine.
About Cl6N2Pr4
Cl6N2Pr4 is a complex inorganic compound composed of chlorine, nitrogen, and praseodymium. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement within its chemical system.
This material exhibits a wide-band-gap electronic character, classifying it as an electrical insulator. Its structural integrity and electronic properties make it a subject of interest for fundamental materials science research into rare-earth halide-nitride systems.
Key Properties
Cross-validated computational properties for Cl6N2Pr4, 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 Cl6N2Pr4, 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. |
|---|---|---|---|---|---|
| Ibam (No. 72) | orthorhombic | 3.39 | 0.0000 | -16.763 | 4.61 |
| Ibam (No. 72) | — | — | — | — | — |
| — | — | — | — | — | 3.76 |
Frequently Asked Questions
Common questions about Cl6N2Pr4, answered from cross-validated data.
What is Cl6N2Pr4?
Cl6N2Pr4 is a thermodynamically stable, insulating inorganic compound containing praseodymium, nitrogen, and chlorine.
What is the band gap of Cl6N2Pr4?
Is Cl6N2Pr4 a metal, semiconductor, or insulator?
Is Cl6N2Pr4 thermodynamically stable?
What is the crystal structure of Cl6N2Pr4?
What is the density of Cl6N2Pr4?
How many polymorphs of Cl6N2Pr4 are known?
What elements does Cl6N2Pr4 contain?
Where does the data for Cl6N2Pr4 come from?
How It Compares
As a distinct inorganic phase, Cl6N2Pr4 serves as a unique reference point for understanding the interplay between rare-earth elements and mixed-anion frameworks, representing a stable configuration in a field where many potential combinations remain unexplored.
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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