B2Se2O7
B2Se2O7 is a thermodynamically stable, insulating compound consisting of boron, selenium, and oxygen.
About B2Se2O7
B2Se2O7 is a complex inorganic compound composed of boron, selenium, and oxygen. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions. Its electronic character is defined by a wide band gap, classifying it as an insulating material. This combination of stability and insulating behavior makes it a subject of interest for fundamental solid-state research. The material is currently documented through multiple structural variations, reflecting its versatility in atomic arrangement. Its unique composition allows it to serve as a building block for exploring complex oxide-chalcogenide systems where precise electronic control is required.
Key Properties
Cross-validated computational properties for B2Se2O7, 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 B2Se2O7, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 3.94 | 0.0000 | -6.903 | 3.58 |
| P212121 (No. 19) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.91 |
Applications
Where B2Se2O7 is used.
Frequently Asked Questions
Common questions about B2Se2O7, answered from cross-validated data.
What is B2Se2O7?
B2Se2O7 is a thermodynamically stable, insulating compound consisting of boron, selenium, and oxygen.
What is B2Se2O7 used for?
What is the band gap of B2Se2O7?
Is B2Se2O7 a metal, semiconductor, or insulator?
Is B2Se2O7 thermodynamically stable?
What is the crystal structure of B2Se2O7?
What is the density of B2Se2O7?
How many polymorphs of B2Se2O7 are known?
What elements does B2Se2O7 contain?
Where does the data for B2Se2O7 come from?
How It Compares
As a distinct inorganic compound, B2Se2O7 occupies a specialized niche within its chemical family. Unlike more common binary oxides or simple chalcogenides, this material integrates both boron and selenium into a stable oxygen-coordinated framework. Its position on the convex hull ensures that it remains a reliable reference point for researchers investigating the interplay between boron-based structural motifs and selenium-based electronic properties.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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