O20P4U4
O20P4U4 is a semimetallic uranium phosphate compound that is considered a viable candidate for laboratory synthesis.
About O20P4U4
O20P4U4 is a complex uranium-based phosphate compound characterized by its near-semimetallic electronic nature. Its unique composition places it in a specialized category of inorganic materials where uranium and phosphorus coordination dictates its structural properties.
Because it resides near the thermodynamic hull, this compound is considered a promising candidate for experimental synthesis. Its existence across multiple structural databases highlights its significance as a subject of ongoing investigation in solid-state chemistry.
Key Properties
Cross-validated computational properties for O20P4U4, 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 O20P4U4, 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 | 0.02 | 0.0090 | -9.141 | 5.56 |
| Cmce (No. 64) | orthorhombic | 0.00 | 0.0295 | -9.121 | 5.97 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 5.39 |
Applications
Where O20P4U4 is used.
Frequently Asked Questions
Common questions about O20P4U4, answered from cross-validated data.
What is O20P4U4?
O20P4U4 is a semimetallic uranium phosphate compound that is considered a viable candidate for laboratory synthesis.
What is O20P4U4 used for?
What is the band gap of O20P4U4?
Is O20P4U4 a metal, semiconductor, or insulator?
Is O20P4U4 thermodynamically stable?
What is the crystal structure of O20P4U4?
What is the density of O20P4U4?
How many polymorphs of O20P4U4 are known?
What elements does O20P4U4 contain?
Where does the data for O20P4U4 come from?
How It Compares
As a distinct uranium phosphate, this compound represents a specialized niche in inorganic chemistry. Without direct structural siblings in this specific class, it serves as a unique reference point for understanding how uranium-oxygen-phosphorus frameworks influence near-zero-gap electronic behavior.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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