Au3C6K1N6Ni1
Au3C6K1N6Ni1 has a DFT band gap of Metallic / not reported across 1 reported structure in 1 space group. Cross-validated across 1 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Au3C6K1N6Ni1, aggregated across 1 database.
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.
Metallic / not reported
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.
—
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.
Not assessed
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
1
1 database, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Au3C6K1N6Ni1, 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. |
|---|---|---|---|---|---|
| P312 (No. 149) | — | — | — | — | — |
Reference
Frequently Asked Questions
Common questions about Au3C6K1N6Ni1, answered from cross-validated data.
What is the band gap of Au3C6K1N6Ni1?
Au3C6K1N6Ni1 is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is Au3C6K1N6Ni1 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
What is the crystal structure of Au3C6K1N6Ni1?
The lowest-energy reported polymorph of Au3C6K1N6Ni1 is of symmetry, space group P312 (No. 149).
What elements does Au3C6K1N6Ni1 contain?
Au3C6K1N6Ni1 contains Au, C, K, N, and Ni (5 elements).
Where does the data for Au3C6K1N6Ni1 come from?
Au3C6K1N6Ni1 data is cross-referenced from aflow.
Explore
Related Compounds
Other Prussian Blue Analogues in the database.
Data sources & attribution
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
Analyze Au3C6K1N6Ni1 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →