CrPO4
chromium(III) phosphate · chromium phosphate
CrPO4 is a stable, semiconducting transition-metal phosphate used in materials research and chemical synthesis.
About chromium(III) phosphate
CrPO4 is a stable transition-metal phosphate that exhibits semiconducting electronic behavior. As a member of this diverse class of materials, it is recognized for its robust structural integrity and potential for electrochemical applications. The compound is well-documented in materials databases, reflecting its significance in fundamental research into inorganic frameworks. Its ability to maintain stability under various conditions makes it an interesting candidate for studies involving ion transport and catalytic activity. By bridging the gap between simple oxides and complex polyanionic structures, this material serves as a vital component in the exploration of transition-metal-based energy storage and sensing technologies.
Key Properties
Cross-validated computational properties for chromium(III) 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 CrPO4, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 2.46 | 0.0000 | -8.406 | 3.45 |
| Cmcm (No. 63) | orthorhombic | 1.84 | 0.0050 | -8.401 | 3.95 |
| Pnma (No. 62) | orthorhombic | 2.14 | 0.0222 | -8.384 | 3.67 |
| Pnma (No. 62) | orthorhombic | 2.21 | 0.0552 | -8.351 | 3.65 |
| P-1 (No. 2) | triclinic | 1.48 | 0.0640 | -8.342 | 3.15 |
| P21/c (No. 14) | monoclinic | 2.12 | 0.0673 | -8.339 | 3.19 |
| P-1 (No. 2) | triclinic | 2.05 | 0.0846 | -8.322 | 2.95 |
| Pbca (No. 61) | orthorhombic | 2.01 | 0.1162 | -8.290 | 3.82 |
| Fdd2 (No. 43) | orthorhombic | 1.58 | 0.1194 | -8.287 | 3.42 |
| P-1 (No. 2) | triclinic | 1.45 | 0.1229 | -8.283 | 3.01 |
| P21/c (No. 14) | monoclinic | 0.34 | 0.1521 | -7.565 | 2.93 |
| P21/c (No. 14) | monoclinic | 2.04 | 0.1731 | -8.233 | 2.87 |
Applications
Where chromium(III) phosphate is used.
Frequently Asked Questions
Common questions about chromium(III) phosphate, answered from cross-validated data.
What is CrPO4?
CrPO4 is a stable, semiconducting transition-metal phosphate used in materials research and chemical synthesis.
What is CrPO4 used for?
What is the band gap of CrPO4?
Is CrPO4 a metal, semiconductor, or insulator?
Is CrPO4 thermodynamically stable?
What is the crystal structure of CrPO4?
What is the density of CrPO4?
How many polymorphs of CrPO4 are known?
What elements does CrPO4 contain?
Where does the data for CrPO4 come from?
How It Compares
Within the transition-metal phosphates class.
Within the family of transition-metal phosphates, CrPO4 shares structural motifs with compounds like FePO4 and CoPO4, yet it offers distinct electronic properties due to the unique configuration of the chromium center. Unlike the lithium-intercalated variants such as LiFePO4 or LiCrP2O7, which are primarily optimized for battery electrodes, CrPO4 serves as a foundational building block for understanding the redox behavior of chromium in phosphate environments.
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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