BeP2
BeP2 is a stable, semiconducting inorganic compound consisting of beryllium and phosphorus.
About BeP2
BeP2 is a distinct binary inorganic compound composed of beryllium and phosphorus. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration within its chemical system, offering a reliable foundation for materials science research.
This material exhibits semiconducting electronic character, making it a candidate for specialized electronic and optoelectronic applications. Its structural integrity and electronic profile suggest potential utility in advanced semiconductor device development where stable, non-metallic behavior is required.
Key Properties
Cross-validated computational properties for BeP2, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of BeP2. 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 BeP2, 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. |
|---|---|---|---|---|---|
| — | — | 0.91 | 0.0000 | -0.488 | — |
| C2/c (No. 15) | monoclinic | 0.84 | 0.0000 | -5.176 | 2.49 |
| Imma (No. 74) | orthorhombic | 0.00 | 0.5615 | -4.615 | 2.43 |
| — | — | 0.00 | 0.6923 | 0.204 | — |
| — | — | 0.00 | 1.2747 | 0.787 | — |
| — | — | 0.00 | 1.4394 | 0.951 | — |
| P-1 (No. 2) | triclinic | — | — | — | 3.00 |
| P1 (No. 1) | triclinic | — | — | — | 2.82 |
| P1 (No. 1) | triclinic | — | — | — | 4.19 |
| P1 (No. 1) | triclinic | — | — | — | 2.56 |
| P-1 (No. 2) | triclinic | — | — | — | 2.42 |
| P-1 (No. 2) | triclinic | — | — | — | 1.98 |
Applications
Where BeP2 is used.
Frequently Asked Questions
Common questions about BeP2, answered from cross-validated data.
What is BeP2?
BeP2 is a stable, semiconducting inorganic compound consisting of beryllium and phosphorus.
What is BeP2 used for?
What is the band gap of BeP2?
Is BeP2 a metal, semiconductor, or insulator?
Is BeP2 thermodynamically stable?
What is the crystal structure of BeP2?
What is the density of BeP2?
How many polymorphs of BeP2 are known?
What elements does BeP2 contain?
Where does the data for BeP2 come from?
How It Compares
As a unique binary compound within its chemical system, BeP2 serves as a primary reference point for understanding the interaction between beryllium and phosphorus. It stands out due to its position on the convex hull, which distinguishes it as a particularly stable arrangement compared to other potential phases in this binary system.
Data sources & attribution
- 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.
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