BeP2
Beryllium phosphide is a binary inorganic compound composed of beryllium and phosphorus. It is primarily studied for its potential semiconducting properties in specialized electronic and optoelectronic research.
BeP
Overview
Key Properties
Cross-validated computational properties for BeP2, aggregated across 2 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.
0.84 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
77
2 databases, 20 space groups
Crystallography
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. |
|---|---|---|---|---|---|
| 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 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 2.03 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.06 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.99 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.98 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.31 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.26 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.15 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.42 |
| P1 (No. 1) | Triclinic | — | — | — | 3.12 |
| P21 (No. 4) | Monoclinic | — | — | — | 2.38 |
Uses
Applications
Where BeP2 is used.
Semiconductor researchMaterials science studies
Reference
Frequently Asked Questions
Common questions about BeP2, answered from cross-validated data.
What is BeP2?
Beryllium phosphide is a binary inorganic compound composed of beryllium and phosphorus. It is primarily studied for its potential semiconducting properties in specialized electronic and optoelectronic research.
More questions
What is BeP2 used for?
BeP2 is used in semiconductor research and materials science studies.
What is the band gap of BeP2?
BeP2 has a DFT-computed band gap of 0.84 eV across 77 reported structures.
Is BeP2 a metal, semiconductor, or insulator?
With a band gap up to 0.84 eV it is a semiconductor.
Is BeP2 thermodynamically stable?
Yes — BeP2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of BeP2?
The lowest-energy reported polymorph of BeP2 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of BeP2?
The computed density of the ground-state structure of BeP2 is 2.49 g/cm³.
How many polymorphs of BeP2 are known?
77 structures of BeP2 are reported across 2 databases, spanning 20 distinct space groups.
What elements does BeP2 contain?
BeP2 contains Be and P (2 elements).
Where does the data for BeP2 come from?
BeP2 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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