CuPO4
Copper phosphate is a chemical compound consisting of copper, phosphorus, and oxygen. It is primarily studied for its potential roles in specialized chemical synthesis and as a precursor material for various copper-based functional compounds.
Key Properties
Cross-validated computational properties for CuPO4, aggregated across 2 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 CuPO4, 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 | 0.33 | 0.0000 | -6.772 | 3.94 |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0082 | -6.764 | 3.45 |
| I-4 (No. 82) | tetragonal | 0.13 | 0.0494 | -6.722 | 3.41 |
| Fdd2 (No. 43) | orthorhombic | 0.01 | 0.0863 | -6.685 | 3.71 |
| R3 (No. 146) | trigonal | 0.00 | 0.0998 | -6.672 | 2.97 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.1316 | -6.640 | 3.20 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 3.25 |
| Fdd2 (No. 43) | Orthorhombic | — | — | — | 3.83 |
| Fdd2 (No. 43) | Orthorhombic | — | — | — | 3.71 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.35 |
| I-4 (No. 82) | Tetragonal | — | — | — | 3.50 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.68 |
Applications
Where CuPO4 is used.
Frequently Asked Questions
Common questions about CuPO4, answered from cross-validated data.
What is CuPO4?
Copper phosphate is a chemical compound consisting of copper, phosphorus, and oxygen. It is primarily studied for its potential roles in specialized chemical synthesis and as a precursor material for various copper-based functional compounds.
What is CuPO4 used for?
What is the band gap of CuPO4?
Is CuPO4 a metal, semiconductor, or insulator?
Is CuPO4 thermodynamically stable?
What is the crystal structure of CuPO4?
What is the density of CuPO4?
How many polymorphs of CuPO4 are known?
What elements does CuPO4 contain?
Where does the data for CuPO4 come from?
Related Compounds
Other Transition-Metal Phosphates in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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