CaFNa2O4P
CaFNa2O4P is a stable, insulating inorganic compound composed of calcium, sodium, oxygen, phosphorus, and fluorine.
About CaFNa2O4P
CaFNa2O4P is a complex inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. As a material residing on the convex hull, it represents a robust structural arrangement that maintains integrity under standard conditions. Its composition, incorporating calcium, sodium, and phosphate groups alongside fluorine, suggests a multifaceted role in solid-state chemistry.
This material is of interest to researchers studying stable, wide-gap compounds that could serve as precursors or structural components in advanced ceramic or mineral-like systems. Its stable configuration makes it a compelling subject for further investigation into its physical properties and potential for specialized technical applications.
Key Properties
Cross-validated computational properties for CaFNa2O4P, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CaFNa2O4P. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for CaFNa2O4P, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for CaFNa2O4P, 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 | 4.75 | 0.0000 | -6.561 | 2.79 |
| Cm (No. 8) | monoclinic | 4.10 | 0.0267 | -6.535 | 2.77 |
| Cm (No. 8) | monoclinic | — | — | — | 2.77 |
| R3m (No. 160) | trigonal | — | — | — | 2.88 |
Synthesis Routes
Literature-extracted synthesis procedures targeting CaFNa2O4P.
Frequently Asked Questions
Common questions about CaFNa2O4P, answered from cross-validated data.
What is CaFNa2O4P?
CaFNa2O4P is a stable, insulating inorganic compound composed of calcium, sodium, oxygen, phosphorus, and fluorine.
What is the band gap of CaFNa2O4P?
Is CaFNa2O4P a metal, semiconductor, or insulator?
Is CaFNa2O4P thermodynamically stable?
What is the crystal structure of CaFNa2O4P?
What is the density of CaFNa2O4P?
How many polymorphs of CaFNa2O4P are known?
How is CaFNa2O4P synthesized?
What elements does CaFNa2O4P contain?
Where does the data for CaFNa2O4P come from?
How It Compares
As a thermodynamically stable compound, CaFNa2O4P occupies a secure position within its chemical class, representing a well-defined structural endpoint that is favored over competing phases in the system.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- alexandria — Data from Alexandria. Cite: Schmidt et al., npj Comput. Mater. 10, 200 (2024). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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