F2H12N2Na2O8P2
This compound is a complex inorganic salt containing sodium, ammonium, fluoride, and phosphate groups. It is primarily studied for its structural properties and potential roles in specialized chemical synthesis or materials research.
FHNNaOP
Overview
Key Properties
Cross-validated computational properties for F2H12N2Na2O8P2, 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.
4.77 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.
0.023 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.
Near hull (likely stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for F2H12N2Na2O8P2, 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. |
|---|---|---|---|---|---|
| Pc (No. 7) | monoclinic | 4.77 | 0.0229 | -5.743 | 1.88 |
| P1 (No. 1) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.97 |
| No. 0 | unknown | — | — | — | 0.97 |
Uses
Applications
Where F2H12N2Na2O8P2 is used.
Chemical researchLaboratory reagentMaterials science studies
Reference
Frequently Asked Questions
Common questions about F2H12N2Na2O8P2, answered from cross-validated data.
What is F2H12N2Na2O8P2?
This compound is a complex inorganic salt containing sodium, ammonium, fluoride, and phosphate groups. It is primarily studied for its structural properties and potential roles in specialized chemical synthesis or materials research.
What is F2H12N2Na2O8P2 used for?
F2H12N2Na2O8P2 is used in chemical research, laboratory reagent, and materials science studies.
What is the band gap of F2H12N2Na2O8P2?
F2H12N2Na2O8P2 has a DFT-computed band gap of 4.77 eV across 4 reported structures.
Is F2H12N2Na2O8P2 a metal, semiconductor, or insulator?
With a wide band gap up to 4.77 eV it is an insulator / wide-band-gap material.
Is F2H12N2Na2O8P2 thermodynamically stable?
F2H12N2Na2O8P2 has a lowest energy above hull of 0.023 eV/atom (near hull (likely stable)).
What is the crystal structure of F2H12N2Na2O8P2?
The lowest-energy reported polymorph of F2H12N2Na2O8P2 is monoclinic symmetry, space group Pc (No. 7).
What is the density of F2H12N2Na2O8P2?
The computed density of the ground-state structure of F2H12N2Na2O8P2 is 1.88 g/cm³.
How many polymorphs of F2H12N2Na2O8P2 are known?
4 structures of F2H12N2Na2O8P2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does F2H12N2Na2O8P2 contain?
F2H12N2Na2O8P2 contains F, H, N, Na, O, and P (6 elements).
Where does the data for F2H12N2Na2O8P2 come from?
F2H12N2Na2O8P2 data is cross-referenced from materials_project, aflow, cod.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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