O3RbSe
O3RbSe is a semimetallic, likely unstable inorganic compound containing oxygen, rubidium, and selenium that is primarily of interest for fundamental structural research.
About O3RbSe
O3RbSe is a complex inorganic compound composed of oxygen, rubidium, and selenium. Its electronic character is defined as near-zero-gap, placing it in the semimetallic regime, which suggests interesting potential for charge carrier behavior despite its current classification status.
While the material has been documented across multiple databases with several distinct structural arrangements, it is identified as being above the thermodynamic hull. This indicates that the compound is likely unstable under standard conditions, marking it as a subject of fundamental research interest rather than current industrial implementation.
Key Properties
Cross-validated computational properties for O3RbSe, 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 O3RbSe, 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 | 0.04 | 0.1744 | -5.298 | 3.35 |
| P212121 (No. 19) | orthorhombic | 0.00 | 0.2418 | -5.290 | 3.42 |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | — |
Frequently Asked Questions
Common questions about O3RbSe, answered from cross-validated data.
What is O3RbSe?
O3RbSe is a semimetallic, likely unstable inorganic compound containing oxygen, rubidium, and selenium that is primarily of interest for fundamental structural research.
What is the band gap of O3RbSe?
Is O3RbSe a metal, semiconductor, or insulator?
Is O3RbSe thermodynamically stable?
What is the crystal structure of O3RbSe?
What is the density of O3RbSe?
How many polymorphs of O3RbSe are known?
What elements does O3RbSe contain?
Where does the data for O3RbSe come from?
How It Compares
As a unique entry within its chemical space, O3RbSe represents a specialized structural configuration that does not currently have direct, widely recognized siblings for comparative analysis, highlighting its distinct role as an outlier in materials exploration.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- alexandria — Data from alexandria.
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