P2S6Zn2
P2S6Zn2 is a metastable semiconducting material composed of phosphorus, sulfur, and zinc.
About P2S6Zn2
P2S6Zn2 is a semiconducting compound composed of phosphorus, sulfur, and zinc. As a metastable material, it represents a specialized phase that offers researchers insight into complex bonding environments within ternary chalcogenide systems.
Its existence across multiple structural databases highlights its significance in fundamental materials research. This compound is primarily utilized in experimental studies aimed at understanding the electronic behavior of non-equilibrium phases in semiconductor physics.
Key Properties
Cross-validated computational properties for P2S6Zn2, 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.
Reported Structures
Lowest-energy structures reported for P2S6Zn2, 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/m (No. 12) | monoclinic | 1.98 | 0.0255 | -8.901 | 2.83 |
| — | — | — | — | — | 2.83 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where P2S6Zn2 is used.
Frequently Asked Questions
Common questions about P2S6Zn2, answered from cross-validated data.
What is P2S6Zn2?
P2S6Zn2 is a metastable semiconducting material composed of phosphorus, sulfur, and zinc.
What is P2S6Zn2 used for?
What is the band gap of P2S6Zn2?
Is P2S6Zn2 a metal, semiconductor, or insulator?
Is P2S6Zn2 thermodynamically stable?
What is the crystal structure of P2S6Zn2?
What is the density of P2S6Zn2?
How many polymorphs of P2S6Zn2 are known?
What elements does P2S6Zn2 contain?
Where does the data for P2S6Zn2 come from?
How It Compares
As a unique ternary phase, P2S6Zn2 serves as an important subject for exploring the structural diversity of phosphorus-sulfur-zinc systems, providing a distinct reference point for researchers investigating metastable semiconductor architectures.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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