P2Sn1Zn1
P2Sn1Zn1 is a stable, semiconducting ternary compound consisting of phosphorus, tin, and zinc.
About P2Sn1Zn1
P2Sn1Zn1 is a distinct ternary compound composed of phosphorus, tin, and zinc. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions.
This material exhibits semiconducting electronic character, making it a subject of interest for fundamental research into electronic and optoelectronic applications. With numerous reported structures, it serves as a significant entry for understanding complex bonding environments in pnictide-based systems.
Key Properties
Cross-validated computational properties for P2Sn1Zn1, 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 P2Sn1Zn1, 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 | 0.70 | 0.0000 | -13.174 | 4.52 |
| P-4m2 (No. 115) | tetragonal | 0.48 | 0.0041 | -13.170 | 4.53 |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
Applications
Where P2Sn1Zn1 is used.
Frequently Asked Questions
Common questions about P2Sn1Zn1, answered from cross-validated data.
What is P2Sn1Zn1?
P2Sn1Zn1 is a stable, semiconducting ternary compound consisting of phosphorus, tin, and zinc.
What is P2Sn1Zn1 used for?
What is the band gap of P2Sn1Zn1?
Is P2Sn1Zn1 a metal, semiconductor, or insulator?
Is P2Sn1Zn1 thermodynamically stable?
What is the crystal structure of P2Sn1Zn1?
What is the density of P2Sn1Zn1?
How many polymorphs of P2Sn1Zn1 are known?
What elements does P2Sn1Zn1 contain?
Where does the data for P2Sn1Zn1 come from?
How It Compares
As a unique ternary phase within its compositional space, P2Sn1Zn1 serves as a foundational example of how phosphorus, tin, and zinc can organize into a stable semiconducting framework. It provides a critical reference point for investigating the electronic behavior of multi-element pnictides.
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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