NaAuO2
Sodium aurate · Sodium gold oxide
Sodium aurate is an inorganic compound containing gold in an oxidized state. It is primarily utilized as a chemical precursor in the synthesis of specialized gold-based materials and catalysts.
AuNaO
Overview
Key Properties
Cross-validated computational properties for Sodium aurate, 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.
1.08–1.16 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
11
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for NaAuO2, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 1.16 | 0.0000 | -4.736 | 7.89 |
| Cmcm (No. 63) | orthorhombic | 1.08 | 0.0263 | -4.709 | 6.53 |
| P42/mmc (No. 131) | tetragonal | 0.00 | 0.0818 | -4.669 | 6.80 |
| Cmcm (No. 63) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.34 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.59 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 7.02 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.90 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 6.53 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 6.73 |
Uses
Applications
Where Sodium aurate is used.
CatalysisChemical synthesisMaterials science research
Reference
Frequently Asked Questions
Common questions about Sodium aurate, answered from cross-validated data.
What is NaAuO2?
Sodium aurate is an inorganic compound containing gold in an oxidized state. It is primarily utilized as a chemical precursor in the synthesis of specialized gold-based materials and catalysts.
More questions
What is NaAuO2 used for?
Sodium aurate (NaAuO2) is used in catalysis, chemical synthesis, and materials science research.
What is the band gap of NaAuO2?
Sodium aurate (NaAuO2) has a DFT-computed band gap of 1.08–1.16 eV across 11 reported structures.
Is NaAuO2 a metal, semiconductor, or insulator?
With a band gap up to 1.16 eV it is a semiconductor.
Is NaAuO2 thermodynamically stable?
Yes — Sodium aurate (NaAuO2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of NaAuO2?
The lowest-energy reported polymorph of Sodium aurate (NaAuO2) is monoclinic symmetry, space group C2/m (No. 12).
What is the density of NaAuO2?
The computed density of the ground-state structure of Sodium aurate (NaAuO2) is 7.89 g/cm³.
How many polymorphs of NaAuO2 are known?
11 structures of NaAuO2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does NaAuO2 contain?
Sodium aurate (NaAuO2) contains Au, Na, and O (3 elements).
Where does the data for NaAuO2 come from?
NaAuO2 data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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