C4F6Li2N8Pr4
C4F6Li2N8Pr4 is a stable, wide-band-gap insulating material composed of carbon, fluorine, lithium, nitrogen, and praseodymium.
About C4F6Li2N8Pr4
C4F6Li2N8Pr4 is a complex inorganic compound characterized by its insulating electronic nature and wide band gap. As a thermodynamically stable material residing on the convex hull, it represents a robust structural configuration within its chemical system.
Its structural integrity is supported by multiple reported entries across research databases, highlighting its significance in materials science. This compound serves as a subject of interest for researchers investigating stable, insulating frameworks containing praseodymium and lithium.
Key Properties
Cross-validated computational properties for C4F6Li2N8Pr4, 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 C4F6Li2N8Pr4, 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 | 3.67 | 0.0000 | -7.830 | 4.69 |
| — | — | — | — | — | 3.21 |
| C2/c (No. 15) | — | — | — | — | — |
Frequently Asked Questions
Common questions about C4F6Li2N8Pr4, answered from cross-validated data.
What is C4F6Li2N8Pr4?
C4F6Li2N8Pr4 is a stable, wide-band-gap insulating material composed of carbon, fluorine, lithium, nitrogen, and praseodymium.
What is the band gap of C4F6Li2N8Pr4?
Is C4F6Li2N8Pr4 a metal, semiconductor, or insulator?
Is C4F6Li2N8Pr4 thermodynamically stable?
What is the crystal structure of C4F6Li2N8Pr4?
What is the density of C4F6Li2N8Pr4?
How many polymorphs of C4F6Li2N8Pr4 are known?
What elements does C4F6Li2N8Pr4 contain?
Where does the data for C4F6Li2N8Pr4 come from?
How It Compares
As a specialized inorganic compound, C4F6Li2N8Pr4 occupies a unique position in materials research due to its specific elemental composition and stability. While it currently stands as a distinct entry without direct structural siblings in this class, it serves as a foundational example of how complex polyanionic or coordination-based frameworks can achieve thermodynamic stability.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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