Be1P2Sn1
Be1P2Sn1 is a semiconducting ternary compound containing beryllium, phosphorus, and tin that is predicted to be stable enough for laboratory synthesis.
About Be1P2Sn1
Be1P2Sn1 is a ternary semiconducting compound composed of beryllium, phosphorus, and tin. Its electronic properties suggest potential utility in electronic and optoelectronic device architectures where specific semiconducting behavior is required.
Because it resides near the thermodynamic stability hull, this material is considered a viable target for experimental synthesis. Its existence in multiple reported structural configurations highlights its versatility and potential for further investigation in materials science research.
Key Properties
Cross-validated computational properties for Be1P2Sn1, 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 Be1P2Sn1, 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 | 0.92 | 0.0219 | -4.863 | 3.91 |
| I4/mmm (No. 139) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
Applications
Where Be1P2Sn1 is used.
Frequently Asked Questions
Common questions about Be1P2Sn1, answered from cross-validated data.
What is Be1P2Sn1?
Be1P2Sn1 is a semiconducting ternary compound containing beryllium, phosphorus, and tin that is predicted to be stable enough for laboratory synthesis.
What is Be1P2Sn1 used for?
What is the band gap of Be1P2Sn1?
Is Be1P2Sn1 a metal, semiconductor, or insulator?
Is Be1P2Sn1 thermodynamically stable?
What is the crystal structure of Be1P2Sn1?
What is the density of Be1P2Sn1?
How many polymorphs of Be1P2Sn1 are known?
What elements does Be1P2Sn1 contain?
Where does the data for Be1P2Sn1 come from?
How It Compares
As a unique ternary phosphide, Be1P2Sn1 represents a distinct structural arrangement within the broader field of beryllium-based semiconductors. Without close structural analogs in this specific chemical space, it serves as an important reference point for understanding how the integration of tin into a beryllium-phosphorus framework influences electronic performance and structural stability.
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).
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