C2F2La2N4
C2F2La2N4 is a thermodynamically stable semiconducting compound composed of lanthanum, carbon, nitrogen, and fluorine.
About C2F2La2N4
C2F2La2N4 is a complex inorganic compound characterized by its semiconducting electronic nature. Its presence on the thermodynamic convex hull indicates high stability, making it a robust candidate for further experimental investigation in materials science. The material is notable for its structural diversity, with multiple reported configurations across research databases. This structural flexibility suggests potential for tailoring its physical properties for specialized technological applications.
Key Properties
Cross-validated computational properties for C2F2La2N4, 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 C2F2La2N4, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 2.68 | 0.0000 | -8.473 | 4.89 |
| Pmmm (No. 47) | — | — | — | — | — |
| — | — | — | — | — | 4.88 |
| Cmcm (No. 63) | — | — | — | — | — |
Applications
Where C2F2La2N4 is used.
Frequently Asked Questions
Common questions about C2F2La2N4, answered from cross-validated data.
What is C2F2La2N4?
C2F2La2N4 is a thermodynamically stable semiconducting compound composed of lanthanum, carbon, nitrogen, and fluorine.
What is C2F2La2N4 used for?
What is the band gap of C2F2La2N4?
Is C2F2La2N4 a metal, semiconductor, or insulator?
Is C2F2La2N4 thermodynamically stable?
What is the crystal structure of C2F2La2N4?
What is the density of C2F2La2N4?
How many polymorphs of C2F2La2N4 are known?
What elements does C2F2La2N4 contain?
Where does the data for C2F2La2N4 come from?
How It Compares
As a unique entry in its structural class, C2F2La2N4 represents a stable point in the chemical landscape, providing a baseline for future explorations into lanthanum-based carbonitride fluorides.
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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