Ca10F2O24V6
Ca10F2O24V6 is a stable, insulating inorganic compound containing calcium, fluorine, oxygen, and vanadium.
About Ca10F2O24V6
Ca10F2O24V6 is a complex inorganic compound characterized by its status as a thermodynamically stable phase on the convex hull. Its electronic structure identifies it as a wide-band-gap insulator, suggesting potential utility in applications requiring stable, non-conductive dielectric materials.
This material is notable for its structural diversity, with multiple reported configurations documented in materials databases. Its unique combination of calcium, fluorine, oxygen, and vanadium makes it a subject of interest for fundamental solid-state research and potential specialized industrial applications.
Key Properties
Cross-validated computational properties for Ca10F2O24V6, 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 Ca10F2O24V6, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 3.87 | 0.0000 | -7.816 | 3.30 |
| No. 0 | unknown | — | — | — | 1.64 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where Ca10F2O24V6 is used.
Frequently Asked Questions
Common questions about Ca10F2O24V6, answered from cross-validated data.
What is Ca10F2O24V6?
Ca10F2O24V6 is a stable, insulating inorganic compound containing calcium, fluorine, oxygen, and vanadium.
What is Ca10F2O24V6 used for?
What is the band gap of Ca10F2O24V6?
Is Ca10F2O24V6 a metal, semiconductor, or insulator?
Is Ca10F2O24V6 thermodynamically stable?
What is the crystal structure of Ca10F2O24V6?
What is the density of Ca10F2O24V6?
How many polymorphs of Ca10F2O24V6 are known?
What elements does Ca10F2O24V6 contain?
Where does the data for Ca10F2O24V6 come from?
How It Compares
As a thermodynamically stable member of its chemical family, Ca10F2O24V6 represents a robust structural arrangement within the broader landscape of calcium-vanadium-based oxides. It serves as a benchmark for stability in its class, providing a well-defined reference point for researchers investigating complex oxyfluoride 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).
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