Au
Gold · Aurum
Gold is a highly stable, noble metallic element widely recognized for its superior electrical conductivity and resistance to chemical degradation.
About Gold
Gold is a noble metallic element that holds a unique position in materials science due to its inherent thermodynamic stability and resistance to oxidation. As a pure element, it exhibits characteristic metallic bonding that facilitates excellent electrical and thermal transport properties.
Its structural versatility is evidenced by a vast array of reported configurations across major databases. This stability and reliability make it a foundational material in both fundamental research and high-performance industrial applications where long-term durability is essential.
Key Properties
Cross-validated computational properties for Gold, 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 Au. 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 Au, 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 | 0.00 | 0.0000 | -50.585 | 18.03 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0021 | -50.583 | 18.53 |
| Im-3m (No. 229) | cubic | 0.00 | 0.0219 | -50.563 | 17.96 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1184 | -50.467 | 16.73 |
| No. 0 | unknown | — | — | — | 4.82 |
| No. 0 | unknown | — | — | — | 4.87 |
| No. 0 | unknown | — | — | — | 4.84 |
| No. 0 | unknown | — | — | — | 4.85 |
| No. 0 | unknown | — | — | — | 4.85 |
| No. 0 | unknown | — | — | — | 4.74 |
| No. 0 | unknown | — | — | — | 4.69 |
| No. 0 | unknown | — | — | — | 4.76 |
Applications
Where Gold is used.
Frequently Asked Questions
Common questions about Gold, answered from cross-validated data.
What is Au?
Gold is a highly stable, noble metallic element widely recognized for its superior electrical conductivity and resistance to chemical degradation.
What is Au used for?
What is the band gap of Au?
Is Au a metal, semiconductor, or insulator?
Is Au thermodynamically stable?
What is the crystal structure of Au?
What is the density of Au?
How many polymorphs of Au are known?
What elements does Au contain?
Where does the data for Au come from?
How It Compares
As a pure elemental metal, gold serves as a benchmark for chemical stability and noble character within the broader landscape of metallic elements, setting the standard for corrosion resistance and structural integrity.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- mpaloe — Data from mpaloe.
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