P2Se6Tl4
P2Se6Tl4 is a stable, semiconducting inorganic compound composed of phosphorus, selenium, and thallium.
About P2Se6Tl4
P2Se6Tl4 is a complex chalcogenide compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that is of significant interest for fundamental materials science studies.
Its structural integrity is supported by multiple reported entries across major materials databases, highlighting its reliability as a subject for experimental investigation. This stability makes it a compelling candidate for exploring the intersection of phosphorus and thallium chemistry in solid-state systems.
Key Properties
Cross-validated computational properties for P2Se6Tl4, 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 P2Se6Tl4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 1.58 | 0.0000 | -26.786 | 6.38 |
| P-1 (No. 2) | — | — | — | — | — |
| — | — | — | — | — | 6.16 |
| — | — | — | — | — | 6.16 |
Applications
Where P2Se6Tl4 is used.
Frequently Asked Questions
Common questions about P2Se6Tl4, answered from cross-validated data.
What is P2Se6Tl4?
P2Se6Tl4 is a stable, semiconducting inorganic compound composed of phosphorus, selenium, and thallium.
What is P2Se6Tl4 used for?
What is the band gap of P2Se6Tl4?
Is P2Se6Tl4 a metal, semiconductor, or insulator?
Is P2Se6Tl4 thermodynamically stable?
What is the crystal structure of P2Se6Tl4?
What is the density of P2Se6Tl4?
How many polymorphs of P2Se6Tl4 are known?
What elements does P2Se6Tl4 contain?
Where does the data for P2Se6Tl4 come from?
How It Compares
As a distinct member of the phosphorus-selenium-thallium system, P2Se6Tl4 occupies a unique position due to its inherent thermodynamic stability, which differentiates it from metastable phases that often require specialized synthesis conditions to stabilize.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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