CsSb
CsSb is a thermodynamically stable semiconducting intermetallic compound formed from cesium and antimony.
About CsSb
CsSb is a semiconducting binary compound composed of cesium and antimony. Its position on the thermodynamic convex hull indicates that it is a stable phase, making it a reliable subject for fundamental materials science research and electronic characterization.
With a significant number of reported structures across major databases, this compound serves as a key reference point for understanding alkali-antimonide systems. Its semiconducting nature suggests potential utility in specialized optoelectronic or thin-film applications where specific electronic band structures are required.
Key Properties
Cross-validated computational properties for CsSb, aggregated across 4 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 CsSb. 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 CsSb, 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 | 0.56 | 0.0000 | -26.002 | 4.36 |
| P21/c (No. 14) | monoclinic | 0.52 | 0.0004 | -26.002 | 4.43 |
| Pm (No. 6) | Monoclinic | — | — | — | 3.56 |
| P21/m (No. 11) | Monoclinic | — | — | — | 1.93 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.77 |
| P21/m (No. 11) | Monoclinic | — | — | — | 2.40 |
| P21/m (No. 11) | Monoclinic | — | — | — | 2.59 |
| P21/m (No. 11) | Monoclinic | — | — | — | 2.97 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.51 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.64 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.70 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.29 |
Applications
Where CsSb is used.
Frequently Asked Questions
Common questions about CsSb, answered from cross-validated data.
What is CsSb?
CsSb is a thermodynamically stable semiconducting intermetallic compound formed from cesium and antimony.
What is CsSb used for?
What is the band gap of CsSb?
Is CsSb a metal, semiconductor, or insulator?
Is CsSb thermodynamically stable?
What is the crystal structure of CsSb?
What is the density of CsSb?
How many polymorphs of CsSb are known?
What elements does CsSb contain?
Where does the data for CsSb come from?
How It Compares
As a stable binary semiconductor, CsSb represents a foundational example of alkali-metal pnictides. While it does not belong to a strictly defined class in this context, it serves as a primary reference material for studying the structural and electronic evolution of group one and group fifteen intermetallic compounds.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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