Au4I2K12Na2O16
This complex inorganic compound consists of gold, iodine, potassium, sodium, and oxygen. It is primarily studied in specialized chemical research contexts involving metal-halide clusters and coordination chemistry.
AuIKNaO
Overview
Key Properties
Cross-validated computational properties for Au4I2K12Na2O16, 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.
1.87 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.
3
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Au4I2K12Na2O16, 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. |
|---|---|---|---|---|---|
| P2/c (No. 13) | monoclinic | 1.87 | 0.0000 | -4.538 | 4.35 |
| — | — | — | — | — | 4.12 |
| P2/c (No. 13) | — | — | — | — | — |
Uses
Applications
Where Au4I2K12Na2O16 is used.
Chemical researchCoordination chemistry studiesMaterials science experimentation
Reference
Frequently Asked Questions
Common questions about Au4I2K12Na2O16, answered from cross-validated data.
What is Au4I2K12Na2O16?
This complex inorganic compound consists of gold, iodine, potassium, sodium, and oxygen. It is primarily studied in specialized chemical research contexts involving metal-halide clusters and coordination chemistry.
What is Au4I2K12Na2O16 used for?
Au4I2K12Na2O16 is used in chemical research, coordination chemistry studies, and materials science experimentation.
What is the band gap of Au4I2K12Na2O16?
Au4I2K12Na2O16 has a DFT-computed band gap of 1.87 eV across 3 reported structures.
Is Au4I2K12Na2O16 a metal, semiconductor, or insulator?
With a band gap up to 1.87 eV it is a semiconductor.
Is Au4I2K12Na2O16 thermodynamically stable?
Yes — Au4I2K12Na2O16 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Au4I2K12Na2O16?
The lowest-energy reported polymorph of Au4I2K12Na2O16 is monoclinic symmetry, space group P2/c (No. 13).
What is the density of Au4I2K12Na2O16?
The computed density of the ground-state structure of Au4I2K12Na2O16 is 4.35 g/cm³.
How many polymorphs of Au4I2K12Na2O16 are known?
3 structures of Au4I2K12Na2O16 are reported across 3 databases, spanning 1 distinct space group.
What elements does Au4I2K12Na2O16 contain?
Au4I2K12Na2O16 contains Au, I, K, Na, and O (5 elements).
Where does the data for Au4I2K12Na2O16 come from?
Au4I2K12Na2O16 data is cross-referenced from materials_project, omat24, aflow.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
Analyze Au4I2K12Na2O16 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →