F24N12P12
F24N12P12 is a thermodynamically stable, insulating inorganic compound composed of phosphorus, nitrogen, and fluorine.
About F24N12P12
F24N12P12 is a complex inorganic compound composed of phosphorus, nitrogen, and fluorine. As a thermodynamically stable material situated on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions. Its electronic character as a wide-gap insulator makes it a subject of significant interest for fundamental materials science studies.
With multiple reported structures across major databases, this compound is a well-documented entity in the field of inorganic chemistry. Its unique bonding arrangement provides a stable framework that serves as a benchmark for understanding the interactions between pnictogens and halogens in high-symmetry molecular or crystalline environments.
Key Properties
Cross-validated computational properties for F24N12P12, aggregated across 4 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 F24N12P12, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 5.62 | 0.0000 | -6.452 | 2.50 |
| P21/c (No. 14) | monoclinic | 5.16 | 0.0049 | -6.447 | 2.45 |
| P21/c (No. 14) | monoclinic | 5.08 | 0.0050 | -6.447 | 1.87 |
| P21/c (No. 14) | monoclinic | 5.65 | 0.0053 | -6.446 | 2.16 |
| P21/c (No. 14) | monoclinic | 5.77 | 0.0067 | -6.445 | 2.18 |
| Pnma (No. 62) | orthorhombic | 6.01 | 0.0097 | -6.442 | 2.01 |
| Pna21 (No. 33) | orthorhombic | 5.99 | 0.0147 | -6.437 | 1.77 |
| No. 0 | unknown | — | — | — | 0.38 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 2.10 |
| P21/c (No. 14) | monoclinic | — | — | — | 0.55 |
Applications
Where F24N12P12 is used.
Frequently Asked Questions
Common questions about F24N12P12, answered from cross-validated data.
What is F24N12P12?
F24N12P12 is a thermodynamically stable, insulating inorganic compound composed of phosphorus, nitrogen, and fluorine.
What is F24N12P12 used for?
What is the band gap of F24N12P12?
Is F24N12P12 a metal, semiconductor, or insulator?
Is F24N12P12 thermodynamically stable?
What is the crystal structure of F24N12P12?
What is the density of F24N12P12?
How many polymorphs of F24N12P12 are known?
What elements does F24N12P12 contain?
Where does the data for F24N12P12 come from?
How It Compares
As a distinct inorganic species, F24N12P12 occupies a specialized niche in materials science. While it lacks direct structural siblings in this context, it serves as a primary example of stable phosphorus-nitrogen-fluorine architectures, demonstrating how specific stoichiometric ratios can lead to highly ordered, insulating frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- 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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