P4Se12Sr4
P4Se12Sr4 is a stable, semiconducting ternary compound containing phosphorus, selenium, and strontium.
About P4Se12Sr4
P4Se12Sr4 is a complex phosphorus-selenium-strontium compound that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within its chemical system.
This material is of interest for its unique structural motifs, which are characterized by the interplay between the phosphorus-selenium framework and the strontium cations. Its stability makes it a significant subject for researchers investigating advanced chalcogenide semiconductors.
Key Properties
Cross-validated computational properties for P4Se12Sr4, 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 P4Se12Sr4, 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 | 2.14 | 0.0000 | -14.545 | 4.31 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 4.23 |
Applications
Where P4Se12Sr4 is used.
Frequently Asked Questions
Common questions about P4Se12Sr4, answered from cross-validated data.
What is P4Se12Sr4?
P4Se12Sr4 is a stable, semiconducting ternary compound containing phosphorus, selenium, and strontium.
What is P4Se12Sr4 used for?
What is the band gap of P4Se12Sr4?
Is P4Se12Sr4 a metal, semiconductor, or insulator?
Is P4Se12Sr4 thermodynamically stable?
What is the crystal structure of P4Se12Sr4?
What is the density of P4Se12Sr4?
How many polymorphs of P4Se12Sr4 are known?
What elements does P4Se12Sr4 contain?
Where does the data for P4Se12Sr4 come from?
How It Compares
As a distinct member of the phosphorus-selenium-strontium system, P4Se12Sr4 serves as a foundational reference point for understanding the phase stability and electronic properties of complex ternary chalcogenides.
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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