Cu3Sb
Cu3Sb is a metallic, metastable intermetallic compound formed from copper and antimony.
About Cu3Sb
Cu3Sb is a metallic intermetallic compound composed of copper and antimony. Its electronic character is defined by its lack of a band gap, placing it firmly within the category of metallic conductors rather than semiconductors or insulators.
As a metastable phase, this material represents a specific structural arrangement that is highly sensitive to synthesis conditions. Its presence across multiple structural databases highlights its significance in fundamental materials science and its ongoing exploration in metallurgical studies.
Key Properties
Cross-validated computational properties for Cu3Sb, 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 Cu3Sb. 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 Cu3Sb, 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. |
|---|---|---|---|---|---|
| Pmmn (No. 59) | orthorhombic | 0.00 | 0.0630 | -14.499 | 8.72 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0665 | -14.495 | 8.76 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.1630 | -14.399 | 8.60 |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.3218 | -14.240 | 7.99 |
| Fm-3m (No. 225) | Cubic | — | — | — | 8.91 |
| Fm-3m (No. 225) | Cubic | — | — | — | 8.83 |
| Pm-3m (No. 221) | Cubic | — | — | — | 8.76 |
| No. 0 | unknown | — | — | — | 2.66 |
| — | — | — | — | — | 8.65 |
| Pm-3m (No. 221) | Cubic | — | — | — | 9.03 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 9.13 |
Applications
Where Cu3Sb is used.
Frequently Asked Questions
Common questions about Cu3Sb, answered from cross-validated data.
What is Cu3Sb?
Cu3Sb is a metallic, metastable intermetallic compound formed from copper and antimony.
What is Cu3Sb used for?
What is the band gap of Cu3Sb?
Is Cu3Sb a metal, semiconductor, or insulator?
Is Cu3Sb thermodynamically stable?
What is the crystal structure of Cu3Sb?
What is the density of Cu3Sb?
How many polymorphs of Cu3Sb are known?
What elements does Cu3Sb contain?
Where does the data for Cu3Sb come from?
How It Compares
As a distinct intermetallic phase, Cu3Sb serves as a primary subject for understanding the complex phase behavior and bonding interactions between copper and antimony, providing a baseline for investigating the stability of binary metal systems.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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