Cs2Se
Cs2Se is a stable semiconducting compound formed from cesium and selenium that is widely studied for its diverse structural phases.
About Cs2Se
Cs2Se is a binary inorganic compound composed of cesium and selenium. As a thermodynamically stable material residing on the convex hull, it represents a robust phase within its chemical system, characterized by its distinct semiconducting electronic nature.
This compound is of significant interest in materials science due to its structural versatility, with numerous reported configurations across databases. Its electronic properties make it a subject of study for potential applications in specialized semiconductor technologies and optoelectronic research.
Key Properties
Cross-validated computational properties for Cs2Se, 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 Cs2Se, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 1.80 | 0.0000 | -22.775 | 3.80 |
| P21/c (No. 14) | monoclinic | 2.18 | 0.0042 | -22.770 | 4.23 |
| Pnma (No. 62) | orthorhombic | 1.80 | 0.0042 | -22.770 | 4.23 |
| R-3m (No. 166) | trigonal | 1.57 | 0.0690 | -22.706 | 3.73 |
| Cmc21 (No. 36) | orthorhombic | 1.66 | 0.0718 | -22.703 | 4.08 |
| P63/mmc (No. 194) | hexagonal | 1.83 | 0.0733 | -22.701 | 4.37 |
| Fdd2 (No. 43) | orthorhombic | 1.74 | 0.0751 | -22.699 | 3.70 |
| Cmcm (No. 63) | orthorhombic | 1.56 | 0.0759 | -22.699 | 4.12 |
| P-3m1 (No. 164) | trigonal | 1.28 | 0.0989 | -22.676 | 3.29 |
| Pmma (No. 51) | orthorhombic | 1.08 | 0.2924 | -22.482 | 3.84 |
| Pn-3m (No. 224) | cubic | 0.61 | 0.3055 | -22.469 | 2.34 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.45 |
Applications
Where Cs2Se is used.
Frequently Asked Questions
Common questions about Cs2Se, answered from cross-validated data.
What is Cs2Se?
Cs2Se is a stable semiconducting compound formed from cesium and selenium that is widely studied for its diverse structural phases.
What is Cs2Se used for?
What is the band gap of Cs2Se?
Is Cs2Se a metal, semiconductor, or insulator?
Is Cs2Se thermodynamically stable?
What is the crystal structure of Cs2Se?
What is the density of Cs2Se?
How many polymorphs of Cs2Se are known?
What elements does Cs2Se contain?
Where does the data for Cs2Se come from?
How It Compares
As a stable binary chalcogenide, Cs2Se serves as a fundamental reference point for understanding the bonding and electronic behavior of alkali metal selenides, providing a baseline for investigating more complex multicomponent systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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