Cs2Se5
Cs2Se5 is a stable, semiconducting compound consisting of cesium and selenium atoms.
About Cs2Se5
Cs2Se5 is a crystalline compound composed of cesium and selenium that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a well-defined structural arrangement within the chalcogenide family.
This material is significant for researchers investigating the electronic and structural diversity of alkali metal polychalcogenides. Its stability and semiconducting nature make it a subject of interest for fundamental studies in solid-state chemistry and materials design.
Key Properties
Cross-validated computational properties for Cs2Se5, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Cs2Se5. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Cs2Se5, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 0.96 | 0.0000 | -18.129 | 4.23 |
| P212121 (No. 19) | Orthorhombic | — | — | — | 4.01 |
| P212121 (No. 19) | Orthorhombic | — | — | — | 4.15 |
| P212121 (No. 19) | Orthorhombic | — | — | — | 4.10 |
| No. 0 | unknown | — | — | — | 0.73 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.62 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.87 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.46 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.71 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.65 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.56 |
Applications
Where Cs2Se5 is used.
Frequently Asked Questions
Common questions about Cs2Se5, answered from cross-validated data.
What is Cs2Se5?
Cs2Se5 is a stable, semiconducting compound consisting of cesium and selenium atoms.
What is Cs2Se5 used for?
What is the band gap of Cs2Se5?
Is Cs2Se5 a metal, semiconductor, or insulator?
Is Cs2Se5 thermodynamically stable?
What is the crystal structure of Cs2Se5?
What is the density of Cs2Se5?
How many polymorphs of Cs2Se5 are known?
What elements does Cs2Se5 contain?
Where does the data for Cs2Se5 come from?
How It Compares
As a stable polychalcogenide, Cs2Se5 serves as a representative example of how alkali metals can form complex, ordered anionic frameworks with selenium. It demonstrates the structural versatility inherent in these systems, where the stoichiometry allows for the formation of distinct, stable configurations that define the broader class of cesium-selenium materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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