C2H10O14P2Pr2
This is a metastable praseodymium-based phosphate compound that exhibits insulating electronic properties.
About C2H10O14P2Pr2
C2H10O14P2Pr2 is a complex praseodymium-containing phosphate compound that functions as a wide-band-gap insulator. Its structural arrangement reflects the intricate coordination chemistry often found in rare-earth phosphate systems, which are frequently investigated for their potential optical and electronic properties.
Due to its position above the thermodynamic hull, this material is considered metastable, suggesting that its synthesis and long-term stability require specific conditions. Research into this compound contributes to the broader understanding of rare-earth coordination environments and the challenges associated with stabilizing complex inorganic frameworks.
Key Properties
Cross-validated computational properties for C2H10O14P2Pr2, 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 C2H10O14P2Pr2, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 3.74 | 0.1134 | -6.729 | 2.83 |
| No. 0 | unknown | — | — | — | 1.46 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where C2H10O14P2Pr2 is used.
Frequently Asked Questions
Common questions about C2H10O14P2Pr2, answered from cross-validated data.
What is C2H10O14P2Pr2?
This is a metastable praseodymium-based phosphate compound that exhibits insulating electronic properties.
What is C2H10O14P2Pr2 used for?
What is the band gap of C2H10O14P2Pr2?
Is C2H10O14P2Pr2 a metal, semiconductor, or insulator?
Is C2H10O14P2Pr2 thermodynamically stable?
What is the crystal structure of C2H10O14P2Pr2?
What is the density of C2H10O14P2Pr2?
How many polymorphs of C2H10O14P2Pr2 are known?
What elements does C2H10O14P2Pr2 contain?
Where does the data for C2H10O14P2Pr2 come from?
How It Compares
As a unique praseodymium-based phosphate, this compound serves as a distinct entry point for studying rare-earth coordination chemistry. Without direct structural siblings in this specific class, it stands as a specialized case study for how praseodymium ions integrate into complex anionic frameworks, providing valuable data for predictive materials modeling.
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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