SeO5
SeO5 is a semiconducting selenium oxide that exhibits significant structural diversity despite being thermodynamically unstable.
About SeO5
SeO5 is a complex selenium oxide characterized by its semiconducting electronic nature. Given the high number of reported structures across various databases, it represents a fascinating case study in the structural diversity of selenium-oxygen systems despite its inherent instability.
Because it exists above the thermodynamic hull, SeO5 is considered a metastable or unstable phase under standard conditions. Its study is primarily driven by the pursuit of understanding high-pressure or non-equilibrium synthesis pathways that allow such unique oxide architectures to form.
Key Properties
Cross-validated computational properties for SeO5, 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 SeO5, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 0.34 | 0.5022 | -4.800 | 2.73 |
| P4mm (No. 99) | Tetragonal | — | — | — | 5.50 |
| P4mm (No. 99) | Tetragonal | — | — | — | 3.57 |
| P4mm (No. 99) | Tetragonal | — | — | — | 3.95 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.86 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.79 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.28 |
| Pm (No. 6) | Monoclinic | — | — | — | 5.81 |
| Pm (No. 6) | Monoclinic | — | — | — | 4.22 |
| Pm (No. 6) | Monoclinic | — | — | — | 3.90 |
| P1 (No. 1) | Triclinic | — | — | — | 5.03 |
| P1 (No. 1) | Triclinic | — | — | — | 2.88 |
Frequently Asked Questions
Common questions about SeO5, answered from cross-validated data.
What is SeO5?
SeO5 is a semiconducting selenium oxide that exhibits significant structural diversity despite being thermodynamically unstable.
What is the band gap of SeO5?
Is SeO5 a metal, semiconductor, or insulator?
Is SeO5 thermodynamically stable?
What is the crystal structure of SeO5?
What is the density of SeO5?
How many polymorphs of SeO5 are known?
What elements does SeO5 contain?
Where does the data for SeO5 come from?
How It Compares
As a unique oxide composition, SeO5 occupies a niche position in materials science where its structural variety contrasts with the relative scarcity of stable, high-oxygen-content selenium phases.
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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