BeSe
beryllium selenide
Beryllium selenide is a stable, semiconducting inorganic compound formed from beryllium and selenium.
About beryllium selenide
Beryllium selenide is a binary inorganic compound composed of beryllium and selenium. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of these elements.
This material functions as a semiconductor, making it a subject of interest for specialized electronic and optoelectronic research. Its structural diversity is well-documented, with a significant number of reported configurations across various materials databases.
Key Properties
Cross-validated computational properties for beryllium selenide, aggregated across 5 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 BeSe. 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 BeSe, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 3.37 | 0.0000 | -0.930 | — |
| — | — | 2.83 | 0.0000 | -0.799 | — |
| F-43m (No. 216) | cubic | 2.67 | 0.0000 | -4.647 | 4.23 |
| — | — | 2.82 | 0.0001 | -0.799 | — |
| — | — | 3.38 | 0.0061 | -0.793 | — |
| F-43m (No. 216) | cubic | 2.85 | 0.0393 | -0.891 | — |
| — | — | 0.53 | 0.4990 | -0.300 | — |
| P63/mmc (No. 194) | hexagonal | 0.44 | 0.4990 | -4.148 | 4.90 |
| P4/nmm (No. 129) | tetragonal | 0.02 | 0.5182 | -0.412 | — |
| — | — | 0.20 | 0.5445 | -0.254 | — |
| — | — | 0.20 | 0.5445 | -0.254 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.5450 | -4.102 | 4.89 |
Applications
Where beryllium selenide is used.
Frequently Asked Questions
Common questions about beryllium selenide, answered from cross-validated data.
What is BeSe?
Beryllium selenide is a stable, semiconducting inorganic compound formed from beryllium and selenium.
What is BeSe used for?
What is the band gap of BeSe?
Is BeSe a metal, semiconductor, or insulator?
Is BeSe thermodynamically stable?
What is the crystal structure of BeSe?
What is the density of BeSe?
How many polymorphs of BeSe are known?
What elements does BeSe contain?
Where does the data for BeSe come from?
How It Compares
As a standalone entry in this context, beryllium selenide serves as a fundamental example of stable beryllium-chalcogenide bonding, providing a baseline for understanding the electronic behavior of light-metal selenides.
Data sources & attribution
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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 BeSe in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →