F4N4O12Xe4
This compound is a complex xenon-based salt containing nitrogen and oxygen groups. It is primarily studied in the field of noble gas chemistry for its unique structural properties and bonding characteristics.
FNOXe
Overview
Key Properties
Cross-validated computational properties for F4N4O12Xe4, 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.
2.25 eV
Range across DFT structures
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.
0.028 eV/atom
Best (lowest) across sources
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.
Metastable
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for F4N4O12Xe4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 2.25 | 0.0280 | -4.732 | 3.35 |
| No. 0 | unknown | — | — | — | 0.91 |
| P21/c (No. 14) | — | — | — | — | — |
Uses
Applications
Where F4N4O12Xe4 is used.
Academic researchInorganic synthesis studies
Reference
Frequently Asked Questions
Common questions about F4N4O12Xe4, answered from cross-validated data.
What is F4N4O12Xe4?
This compound is a complex xenon-based salt containing nitrogen and oxygen groups. It is primarily studied in the field of noble gas chemistry for its unique structural properties and bonding characteristics.
More questions
What is F4N4O12Xe4 used for?
F4N4O12Xe4 is used in academic research and inorganic synthesis studies.
What is the band gap of F4N4O12Xe4?
F4N4O12Xe4 has a DFT-computed band gap of 2.25 eV across 3 reported structures.
Is F4N4O12Xe4 a metal, semiconductor, or insulator?
With a band gap up to 2.25 eV it is a semiconductor.
Is F4N4O12Xe4 thermodynamically stable?
F4N4O12Xe4 has a lowest energy above hull of 0.028 eV/atom (metastable).
What is the crystal structure of F4N4O12Xe4?
The lowest-energy reported polymorph of F4N4O12Xe4 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of F4N4O12Xe4?
The computed density of the ground-state structure of F4N4O12Xe4 is 3.35 g/cm³.
How many polymorphs of F4N4O12Xe4 are known?
3 structures of F4N4O12Xe4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does F4N4O12Xe4 contain?
F4N4O12Xe4 contains F, N, O, and Xe (4 elements).
Where does the data for F4N4O12Xe4 come from?
F4N4O12Xe4 data is cross-referenced from materials_project, cod, aflow.
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).
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