Cr2PO5
Cr2PO5 is a semiconducting transition-metal phosphate that is considered a promising candidate for synthesis due to its favorable thermodynamic stability.
About Cr2PO5
Cr2PO5 is a transition-metal phosphate characterized by its semiconducting electronic nature. Its structural framework suggests a degree of thermodynamic stability that positions it as a viable target for experimental synthesis and further characterization within the broader phosphate family.
As a member of this diverse class of compounds, Cr2PO5 contributes to the growing library of transition-metal-based materials. Its potential utility is supported by its presence across multiple structural databases, highlighting its significance in the study of complex oxide-phosphate systems.
Key Properties
Cross-validated computational properties for Cr2PO5, 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 Cr2PO5, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 0.65 | 0.0127 | -8.644 | 3.81 |
| Pnma (No. 62) | orthorhombic | 0.78 | 0.0170 | -8.640 | 4.09 |
| P-1 (No. 2) | triclinic | 1.12 | 0.0487 | -8.608 | 3.89 |
| I41/amd (No. 141) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.11 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.25 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.04 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.81 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.95 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.89 |
Applications
Where Cr2PO5 is used.
Frequently Asked Questions
Common questions about Cr2PO5, answered from cross-validated data.
What is Cr2PO5?
Cr2PO5 is a semiconducting transition-metal phosphate that is considered a promising candidate for synthesis due to its favorable thermodynamic stability.
What is Cr2PO5 used for?
What is the band gap of Cr2PO5?
Is Cr2PO5 a metal, semiconductor, or insulator?
Is Cr2PO5 thermodynamically stable?
What is the crystal structure of Cr2PO5?
What is the density of Cr2PO5?
How many polymorphs of Cr2PO5 are known?
What elements does Cr2PO5 contain?
Where does the data for Cr2PO5 come from?
How It Compares
Within the transition-metal phosphates class.
Within the expansive family of transition-metal phosphates, Cr2PO5 occupies a distinct niche compared to well-known battery cathode materials like LiFePO4 or LiMnPO4. While those lithium-containing compounds are primarily valued for their electrochemical performance in energy storage, Cr2PO5 represents a more fundamental structural study, sharing the phosphate-based architecture found in materials like LiCrP2O7 but offering a different stoichiometry that challenges current synthesis techniques.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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