Be1P2Si1
This is a ternary inorganic compound composed of beryllium, phosphorus, and silicon. It belongs to a class of materials often studied for their potential semiconducting properties and structural characteristics in solid-state chemistry.
Key Properties
Cross-validated computational properties for Be1P2Si1, 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.
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 Be1P2Si1, 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. |
|---|---|---|---|---|---|
| I-42d (No. 122) | tetragonal | 1.15 | 0.0000 | -5.372 | 2.47 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.9335 | -4.438 | 3.20 |
| Imm2 (No. 44) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Be1P2Si1 is used.
Frequently Asked Questions
Common questions about Be1P2Si1, answered from cross-validated data.
What is Be1P2Si1?
This is a ternary inorganic compound composed of beryllium, phosphorus, and silicon. It belongs to a class of materials often studied for their potential semiconducting properties and structural characteristics in solid-state chemistry.
What is Be1P2Si1 used for?
What is the band gap of Be1P2Si1?
Is Be1P2Si1 a metal, semiconductor, or insulator?
Is Be1P2Si1 thermodynamically stable?
What is the crystal structure of Be1P2Si1?
What is the density of Be1P2Si1?
How many polymorphs of Be1P2Si1 are known?
What elements does Be1P2Si1 contain?
Where does the data for Be1P2Si1 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
Analyze Be1P2Si1 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →