Ca1O3P1
calcium metaphosphate · calcium phosphate, monocalcium metaphosphate
Calcium metaphosphate is a stable, insulating phosphate compound used primarily in the development of specialized glasses and bioceramics.
About calcium metaphosphate
Calcium metaphosphate is a stable inorganic compound characterized by its insulating electronic properties. As a member of the phosphate family, it exhibits significant structural integrity, making it a reliable candidate for high-temperature applications and chemical synthesis.
Its role as a wide-gap insulator allows it to function effectively in environments where electrical conductivity must be minimized. The material is frequently studied for its chemical durability and its ability to serve as a precursor in the development of advanced ceramic and glass-based technologies.
Key Properties
Cross-validated computational properties for calcium metaphosphate, 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 Ca1O3P1, 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 | 5.50 | 0.0000 | -7.696 | 3.11 |
| Cc (No. 9) | monoclinic | 5.53 | 0.0108 | -7.686 | 3.12 |
| No. 0 | unknown | — | — | — | 0.34 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | — | — | — | — | — |
Applications
Where calcium metaphosphate is used.
Frequently Asked Questions
Common questions about calcium metaphosphate, answered from cross-validated data.
What is Ca1O3P1?
Calcium metaphosphate is a stable, insulating phosphate compound used primarily in the development of specialized glasses and bioceramics.
What is Ca1O3P1 used for?
What is the band gap of Ca1O3P1?
Is Ca1O3P1 a metal, semiconductor, or insulator?
Is Ca1O3P1 thermodynamically stable?
What is the crystal structure of Ca1O3P1?
What is the density of Ca1O3P1?
How many polymorphs of Ca1O3P1 are known?
What elements does Ca1O3P1 contain?
Where does the data for Ca1O3P1 come from?
How It Compares
As a thermodynamically stable phase, calcium metaphosphate occupies a robust position within the landscape of calcium-based phosphates. It serves as a fundamental reference point for understanding the structural behavior and phase stability of alkaline earth metal phosphates in solid-state chemistry.
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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