Au4Cs4O4
This compound is a complex oxide containing gold and cesium. It is primarily studied by researchers investigating the fundamental chemical properties and structural arrangements of alkali metal aurates.
AuCsO
Overview
Key Properties
Cross-validated computational properties for Au4Cs4O4, 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.
1.38 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.
4
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Au4Cs4O4, 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. |
|---|---|---|---|---|---|
| I4/mmm (No. 139) | tetragonal | 1.38 | 0.0000 | -4.105 | 7.07 |
| I4/mmm (No. 139) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| — | — | — | — | — | 5.60 |
Uses
Applications
Where Au4Cs4O4 is used.
Fundamental materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Au4Cs4O4, answered from cross-validated data.
What is Au4Cs4O4?
This compound is a complex oxide containing gold and cesium. It is primarily studied by researchers investigating the fundamental chemical properties and structural arrangements of alkali metal aurates.
More questions
What is Au4Cs4O4 used for?
Au4Cs4O4 is used in fundamental materials science research and solid-state chemistry studies.
What is the band gap of Au4Cs4O4?
Au4Cs4O4 has a DFT-computed band gap of 1.38 eV across 4 reported structures.
Is Au4Cs4O4 a metal, semiconductor, or insulator?
With a band gap up to 1.38 eV it is a semiconductor.
Is Au4Cs4O4 thermodynamically stable?
Yes — Au4Cs4O4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Au4Cs4O4?
The lowest-energy reported polymorph of Au4Cs4O4 is tetragonal symmetry, space group I4/mmm (No. 139).
What is the density of Au4Cs4O4?
The computed density of the ground-state structure of Au4Cs4O4 is 7.07 g/cm³.
How many polymorphs of Au4Cs4O4 are known?
4 structures of Au4Cs4O4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Au4Cs4O4 contain?
Au4Cs4O4 contains Au, Cs, and O (3 elements).
Where does the data for Au4Cs4O4 come from?
Au4Cs4O4 data is cross-referenced from materials_project, aflow, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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