BSe2
BSe2 is a stable, semiconducting binary compound formed from boron and selenium that is widely documented across structural databases.
About BSe2
BSe2 is a semiconducting compound composed of boron and selenium. As a thermodynamically stable material located on the convex hull, it represents a robust configuration of these elements that is of significant interest for fundamental research into binary chalcogenide systems.
With a high degree of data richness and numerous reported structures, this compound serves as a key subject for understanding phase stability and structural diversity. Its electronic character makes it a candidate for investigation in semiconductor applications where specific band characteristics are required.
Key Properties
Cross-validated computational properties for BSe2, aggregated across 4 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of BSe2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for BSe2, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 2.03 | 0.0000 | -12.185 | 3.61 |
| P21/c (No. 14) | monoclinic | 1.53 | 0.0000 | -0.118 | — |
| Pm (No. 6) | monoclinic | 0.00 | 0.1273 | 0.009 | — |
| C2/m (No. 12) | monoclinic | 0.00 | 0.4274 | 0.310 | — |
| — | — | 0.00 | 0.8744 | 0.764 | — |
| — | — | 0.00 | 1.9045 | 1.795 | — |
| P1 (No. 1) | triclinic | — | — | — | 4.43 |
| Cm (No. 8) | monoclinic | — | — | — | 5.28 |
| P1 (No. 1) | triclinic | — | — | — | 3.90 |
| P1 (No. 1) | triclinic | — | — | — | 3.65 |
| P1 (No. 1) | triclinic | — | — | — | 3.83 |
| P1 (No. 1) | triclinic | — | — | — | 6.37 |
Applications
Where BSe2 is used.
Frequently Asked Questions
Common questions about BSe2, answered from cross-validated data.
What is BSe2?
BSe2 is a stable, semiconducting binary compound formed from boron and selenium that is widely documented across structural databases.
What is BSe2 used for?
What is the band gap of BSe2?
Is BSe2 a metal, semiconductor, or insulator?
Is BSe2 thermodynamically stable?
What is the crystal structure of BSe2?
What is the density of BSe2?
How many polymorphs of BSe2 are known?
What elements does BSe2 contain?
Where does the data for BSe2 come from?
How It Compares
As a distinct binary compound, BSe2 occupies a unique position in materials research, serving as a foundational reference point for boron-selenium systems. Its stability and structural variety allow it to act as a benchmark for exploring the broader landscape of semiconducting chalcogenides.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze BSe2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →