Ca16O56P16
Ca16O56P16 is a thermodynamically stable, insulating calcium phosphate compound characterized by its complex structural framework.
About Ca16O56P16
Ca16O56P16 is a complex calcium phosphate compound that stands out for its thermodynamic stability, residing directly on the convex hull. As a wide-gap insulating material, it exhibits electronic properties characteristic of highly stable dielectric oxides, making it a subject of significant interest in fundamental materials research.
Given its structural complexity and the multiple reported configurations across major databases, this compound serves as a critical reference point for understanding the phase space of calcium-based phosphates. Its inherent stability suggests potential utility in applications requiring robust, chemically inert, and electrically insulating inorganic frameworks.
Key Properties
Cross-validated computational properties for Ca16O56P16, aggregated across 4 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 Ca16O56P16, 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 | 5.73 | 0.0000 | -7.711 | 2.95 |
| P41 (No. 76) | tetragonal | 5.54 | 0.0037 | -7.708 | 3.15 |
| P41 (No. 76) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.55 |
| — | — | — | — | — | 2.17 |
Applications
Where Ca16O56P16 is used.
Frequently Asked Questions
Common questions about Ca16O56P16, answered from cross-validated data.
What is Ca16O56P16?
Ca16O56P16 is a thermodynamically stable, insulating calcium phosphate compound characterized by its complex structural framework.
What is Ca16O56P16 used for?
What is the band gap of Ca16O56P16?
Is Ca16O56P16 a metal, semiconductor, or insulator?
Is Ca16O56P16 thermodynamically stable?
What is the crystal structure of Ca16O56P16?
What is the density of Ca16O56P16?
How many polymorphs of Ca16O56P16 are known?
What elements does Ca16O56P16 contain?
Where does the data for Ca16O56P16 come from?
How It Compares
As a thermodynamically stable phase within the calcium phosphate system, this compound represents a well-defined structural arrangement that provides a benchmark for evaluating the stability and electronic behavior of related phosphate-based materials.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
Analyze Ca16O56P16 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →