Ca8O38P12
Ca8O38P12 is a thermodynamically stable, insulating calcium phosphate compound.
About Ca8O38P12
Ca8O38P12 is a structurally defined calcium phosphate compound that occupies a stable position on the thermodynamic convex hull. Its composition reflects the complex interplay between calcium and phosphorus, resulting in a robust material architecture that maintains its integrity under standard conditions.
As a wide-gap insulator, this compound exhibits electronic properties typical of stable phosphate-based ceramics. These characteristics make it a subject of interest for researchers investigating the fundamental behavior of calcium-rich mineral phases in various solid-state environments.
Key Properties
Cross-validated computational properties for Ca8O38P12, 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 Ca8O38P12, 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 | 5.37 | 0.0000 | -7.707 | 2.90 |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 1.97 |
Applications
Where Ca8O38P12 is used.
Frequently Asked Questions
Common questions about Ca8O38P12, answered from cross-validated data.
What is Ca8O38P12?
Ca8O38P12 is a thermodynamically stable, insulating calcium phosphate compound.
What is Ca8O38P12 used for?
What is the band gap of Ca8O38P12?
Is Ca8O38P12 a metal, semiconductor, or insulator?
Is Ca8O38P12 thermodynamically stable?
What is the crystal structure of Ca8O38P12?
What is the density of Ca8O38P12?
How many polymorphs of Ca8O38P12 are known?
What elements does Ca8O38P12 contain?
Where does the data for Ca8O38P12 come from?
How It Compares
As a stable phase within the calcium-phosphorus-oxygen system, this compound represents a distinct structural arrangement compared to more common calcium phosphate minerals, serving as a specialized point of reference for understanding the diversity of phosphate stoichiometry.
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).
Analyze Ca8O38P12 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →