As6Ca10F2O24
As6Ca10F2O24 is a thermodynamically stable, insulating inorganic compound composed of arsenic, calcium, fluorine, and oxygen.
About As6Ca10F2O24
As6Ca10F2O24 is a complex inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. Its position on the convex hull indicates a robust structural arrangement that resists decomposition under standard conditions. The material is defined by its specific stoichiometry of arsenic, calcium, fluorine, and oxygen. As a stable insulator, it serves as a subject of interest for researchers investigating complex oxy-fluoride systems and their potential for specialized dielectric or structural applications.
Key Properties
Cross-validated computational properties for As6Ca10F2O24, 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 As6Ca10F2O24, 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 | 3.95 | 0.0000 | -6.896 | 3.59 |
| No. 0 | unknown | — | — | — | 1.87 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where As6Ca10F2O24 is used.
Frequently Asked Questions
Common questions about As6Ca10F2O24, answered from cross-validated data.
What is As6Ca10F2O24?
As6Ca10F2O24 is a thermodynamically stable, insulating inorganic compound composed of arsenic, calcium, fluorine, and oxygen.
What is As6Ca10F2O24 used for?
What is the band gap of As6Ca10F2O24?
Is As6Ca10F2O24 a metal, semiconductor, or insulator?
Is As6Ca10F2O24 thermodynamically stable?
What is the crystal structure of As6Ca10F2O24?
What is the density of As6Ca10F2O24?
How many polymorphs of As6Ca10F2O24 are known?
What elements does As6Ca10F2O24 contain?
Where does the data for As6Ca10F2O24 come from?
How It Compares
As6Ca10F2O24 stands as a distinct, thermodynamically stable entity within its chemical family. While it represents a specific structural configuration of arsenic-calcium-fluorine-oxygen, it serves as a foundational reference point for understanding the stability and electronic behavior of similar complex multi-anionic inorganic 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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