Cs2Sb
Cs2Sb is a thermodynamically stable semiconducting material formed from cesium and antimony.
About Cs2Sb
Cs2Sb is a binary semiconducting compound composed of cesium and antimony. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement that has been extensively documented across various crystallographic studies.
Its electronic character makes it an interesting candidate for research in specialized semiconductor applications. The stability of this material suggests potential for reliable performance in environments where phase integrity is critical for device functionality.
Key Properties
Cross-validated computational properties for Cs2Sb, 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 Cs2Sb. 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 Cs2Sb, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.28 | 0.0000 | -25.868 | 4.33 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.90 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.61 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.96 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.52 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.40 |
| C2/m (No. 12) | Monoclinic | — | — | — | 1.88 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.08 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.55 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.00 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.32 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 2.29 |
Applications
Where Cs2Sb is used.
Frequently Asked Questions
Common questions about Cs2Sb, answered from cross-validated data.
What is Cs2Sb?
Cs2Sb is a thermodynamically stable semiconducting material formed from cesium and antimony.
What is Cs2Sb used for?
What is the band gap of Cs2Sb?
Is Cs2Sb a metal, semiconductor, or insulator?
Is Cs2Sb thermodynamically stable?
What is the crystal structure of Cs2Sb?
What is the density of Cs2Sb?
How many polymorphs of Cs2Sb are known?
What elements does Cs2Sb contain?
Where does the data for Cs2Sb come from?
How It Compares
As a distinct binary phase, Cs2Sb serves as a foundational example of cesium-antimony chemistry. Without direct structural siblings in this specific grouping, it stands as a primary reference point for understanding the stability and electronic behavior of alkali-metal pnictides.
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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