As4Ca8Cl4O16
As4Ca8Cl4O16 is a thermodynamically stable, insulating quaternary inorganic compound composed of arsenic, calcium, chlorine, and oxygen.
About As4Ca8Cl4O16
As4Ca8Cl4O16 is a complex inorganic compound characterized by its insulating electronic behavior and significant thermodynamic stability. As a material situated on the convex hull, it represents a robust phase that maintains structural integrity under standard conditions.
Its unique arrangement of arsenic, calcium, chlorine, and oxygen atoms makes it a subject of interest for fundamental materials research. The compound's wide-gap electronic nature suggests potential applications in specialized dielectric environments or as a precursor in advanced synthetic pathways.
Key Properties
Cross-validated computational properties for As4Ca8Cl4O16, 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 As4Ca8Cl4O16, 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. |
|---|---|---|---|---|---|
| Pbcm (No. 57) | orthorhombic | 3.81 | 0.0000 | -6.543 | 3.28 |
| Pbcm (No. 57) | — | — | — | — | — |
| — | — | — | — | — | 3.28 |
Applications
Where As4Ca8Cl4O16 is used.
Frequently Asked Questions
Common questions about As4Ca8Cl4O16, answered from cross-validated data.
What is As4Ca8Cl4O16?
As4Ca8Cl4O16 is a thermodynamically stable, insulating quaternary inorganic compound composed of arsenic, calcium, chlorine, and oxygen.
What is As4Ca8Cl4O16 used for?
What is the band gap of As4Ca8Cl4O16?
Is As4Ca8Cl4O16 a metal, semiconductor, or insulator?
Is As4Ca8Cl4O16 thermodynamically stable?
What is the crystal structure of As4Ca8Cl4O16?
What is the density of As4Ca8Cl4O16?
How many polymorphs of As4Ca8Cl4O16 are known?
What elements does As4Ca8Cl4O16 contain?
Where does the data for As4Ca8Cl4O16 come from?
How It Compares
As a distinct inorganic phase, As4Ca8Cl4O16 occupies a unique position within its chemical system. Unlike more common binary or ternary oxides, this quaternary structure demonstrates a stable configuration that highlights the complex interplay of its constituent elements.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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