In6Mn6O18
This complex oxide is a crystalline material composed of indium, manganese, and oxygen. It is primarily studied in academic research settings for its structural properties and potential magnetic or electronic behaviors.
Overview
Key Properties
Cross-validated computational properties for In6Mn6O18, 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.
0.28–0.92 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.
0.005 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
10
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for In6Mn6O18, 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/c (No. 15) | monoclinic | 0.28 | 0.0049 | -13.029 | 6.21 |
| P63cm (No. 185) | hexagonal | 0.92 | 0.0146 | -7.342 | 6.21 |
| P-3c1 (No. 165) | trigonal | 0.80 | 0.0166 | -7.340 | 5.95 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0221 | -7.335 | 5.89 |
| — | — | — | — | — | 5.78 |
| P63cm (No. 185) | — | — | — | — | — |
| P63cm (No. 185) | — | — | — | — | — |
| P63cm (No. 185) | — | — | — | — | — |
| P63cm (No. 185) | — | — | — | — | — |
| P-3c1 (No. 165) | — | — | — | — | — |
Uses
Applications
Where In6Mn6O18 is used.
Materials science researchSolid-state chemistry studiesExploratory electronic materials development
Reference
Frequently Asked Questions
Common questions about In6Mn6O18, answered from cross-validated data.
What is In6Mn6O18?
This complex oxide is a crystalline material composed of indium, manganese, and oxygen. It is primarily studied in academic research settings for its structural properties and potential magnetic or electronic behaviors.
More questions
What is In6Mn6O18 used for?
In6Mn6O18 is used in materials science research, solid-state chemistry studies, and exploratory electronic materials development.
What is the band gap of In6Mn6O18?
In6Mn6O18 has a DFT-computed band gap of 0.28–0.92 eV across 10 reported structures.
Is In6Mn6O18 a metal, semiconductor, or insulator?
With a band gap up to 0.92 eV it is a semiconductor.
Is In6Mn6O18 thermodynamically stable?
In6Mn6O18 has a lowest energy above hull of 0.005 eV/atom (near hull (likely stable)).
What is the crystal structure of In6Mn6O18?
The lowest-energy reported polymorph of In6Mn6O18 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of In6Mn6O18?
The computed density of the ground-state structure of In6Mn6O18 is 6.21 g/cm³.
How many polymorphs of In6Mn6O18 are known?
10 structures of In6Mn6O18 are reported across 3 databases, spanning 4 distinct space groups.
What elements does In6Mn6O18 contain?
In6Mn6O18 contains In, Mn, and O (3 elements).
Where does the data for In6Mn6O18 come from?
In6Mn6O18 data is cross-referenced from materials_project, omat24, aflow.
Explore
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
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).
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