CaPHO4
Monocalcium phosphate · Calcium dihydrogen phosphate, MCP, Acid calcium phosphate
Monocalcium phosphate is a chemical compound commonly used as a leavening agent in baking and as a nutritional supplement in animal feed. It is a white, crystalline substance that serves as an important source of essential minerals in various industrial and agricultural processes.
Key Properties
Cross-validated computational properties for Monocalcium phosphate, 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 CaPHO4, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 5.43 | 0.0000 | -7.172 | 2.95 |
| P21/c (No. 14) | monoclinic | 5.05 | 0.0187 | -7.154 | 2.82 |
| P1 (No. 1) | Triclinic | — | — | — | 2.82 |
| P1 (No. 1) | Triclinic | — | — | — | 2.98 |
| P1 (No. 1) | Triclinic | — | — | — | 2.87 |
| No. 0 | unknown | — | — | — | 0.65 |
Applications
Where Monocalcium phosphate is used.
Frequently Asked Questions
Common questions about Monocalcium phosphate, answered from cross-validated data.
What is CaPHO4?
Monocalcium phosphate is a chemical compound commonly used as a leavening agent in baking and as a nutritional supplement in animal feed. It is a white, crystalline substance that serves as an important source of essential minerals in various industrial and agricultural processes.
What is CaPHO4 used for?
What is the band gap of CaPHO4?
Is CaPHO4 a metal, semiconductor, or insulator?
Is CaPHO4 thermodynamically stable?
What is the crystal structure of CaPHO4?
What is the density of CaPHO4?
How many polymorphs of CaPHO4 are known?
What elements does CaPHO4 contain?
Where does the data for CaPHO4 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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