CrSb
CrSb is a metallic, metastable compound formed from chromium and antimony that is frequently studied for its structural complexity.
About CrSb
CrSb is a metallic binary compound composed of chromium and antimony. As a metastable material, it represents a unique phase that offers significant interest for researchers investigating the complex interplay between transition metals and pnictogens.
Its electronic character as a metal makes it a subject of study for potential applications in spintronics and magnetic devices. With a vast array of reported structures across various databases, it stands as a highly documented material within its specific chemical system.
Key Properties
Cross-validated computational properties for CrSb, aggregated across 5 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 CrSb. 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 CrSb, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0276 | -20.397 | 7.01 |
| — | — | 0.00 | 0.0856 | 0.086 | — |
| — | — | 0.00 | 0.0892 | 0.089 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1533 | 0.153 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1533 | 0.153 | — |
| — | — | 0.00 | 0.2520 | 0.252 | — |
| — | — | 0.00 | 0.2665 | 0.266 | — |
| — | — | 0.00 | 0.3228 | 0.323 | — |
| — | — | 0.00 | 0.3342 | 0.334 | — |
| — | — | 0.00 | 0.4080 | 0.408 | — |
| — | — | 0.00 | 0.4233 | 0.423 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.5346 | 0.535 | — |
Applications
Where CrSb is used.
Frequently Asked Questions
Common questions about CrSb, answered from cross-validated data.
What is CrSb?
CrSb is a metallic, metastable compound formed from chromium and antimony that is frequently studied for its structural complexity.
What is CrSb used for?
What is the band gap of CrSb?
Is CrSb a metal, semiconductor, or insulator?
Is CrSb thermodynamically stable?
What is the crystal structure of CrSb?
What is the density of CrSb?
How many polymorphs of CrSb are known?
What elements does CrSb contain?
Where does the data for CrSb come from?
How It Compares
As a standalone binary phase in this context, CrSb serves as a fundamental reference point for understanding chromium-antimony interactions. Its metastable nature distinguishes it from more stable stoichiometric counterparts, highlighting the delicate balance required to synthesize and maintain its specific structural configuration.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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