Ca16O36P8
Ca16O36P8 is a stable, insulating calcium phosphate compound used primarily in fundamental materials science research.
About Ca16O36P8
Ca16O36P8 is a thermodynamically stable inorganic compound composed of calcium, oxygen, and phosphorus. As a wide-gap insulator, it exhibits electronic properties characteristic of highly stable dielectric materials, making it a significant subject for structural analysis in solid-state chemistry.
Its position on the convex hull indicates high stability, which is essential for its potential integration into advanced ceramic or mineral-based technologies. Researchers study this compound to better understand the complex phase relationships within the calcium-phosphorus-oxygen system.
Key Properties
Cross-validated computational properties for Ca16O36P8, 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 Ca16O36P8, 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 (No. 4) | monoclinic | 4.75 | 0.0000 | -7.552 | 3.08 |
| No. 0 | unknown | — | — | — | 1.53 |
| P21 (No. 4) | — | — | — | — | — |
Applications
Where Ca16O36P8 is used.
Frequently Asked Questions
Common questions about Ca16O36P8, answered from cross-validated data.
What is Ca16O36P8?
Ca16O36P8 is a stable, insulating calcium phosphate compound used primarily in fundamental materials science research.
What is Ca16O36P8 used for?
What is the band gap of Ca16O36P8?
Is Ca16O36P8 a metal, semiconductor, or insulator?
Is Ca16O36P8 thermodynamically stable?
What is the crystal structure of Ca16O36P8?
What is the density of Ca16O36P8?
How many polymorphs of Ca16O36P8 are known?
What elements does Ca16O36P8 contain?
Where does the data for Ca16O36P8 come from?
How It Compares
As a thermodynamically stable phase, this compound serves as a foundational reference point for understanding the structural diversity of calcium-rich phosphate systems, representing a robust configuration within its chemical class.
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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