Al2CO
This compound is a specialized aluminum-based ceramic material. It is primarily studied for its potential roles in high-temperature structural applications and as a precursor in advanced materials synthesis.
AlCO
Overview
Key Properties
Cross-validated computational properties for Al2CO, 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.
1.76–2.66 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.
0.077 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
16
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Al2CO, 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. |
|---|---|---|---|---|---|
| Pna21 (No. 33) | orthorhombic | 2.66 | 0.0765 | -6.840 | 2.99 |
| P-6m2 (No. 187) | hexagonal | 1.76 | 0.1450 | -6.772 | 3.17 |
| P-6m2 (No. 187) | — | — | — | — | — |
| Pna21 (No. 33) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 3.48 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 3.27 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.40 |
| Pna21 (No. 33) | Orthorhombic | — | — | — | 2.99 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 3.17 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.96 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.48 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.74 |
Uses
Applications
Where Al2CO is used.
Materials science researchCeramic engineeringHigh-temperature structural components
Reference
Frequently Asked Questions
Common questions about Al2CO, answered from cross-validated data.
What is Al2CO?
This compound is a specialized aluminum-based ceramic material. It is primarily studied for its potential roles in high-temperature structural applications and as a precursor in advanced materials synthesis.
More questions
What is Al2CO used for?
Al2CO is used in materials science research, ceramic engineering, and high-temperature structural components.
What is the band gap of Al2CO?
Al2CO has a DFT-computed band gap of 1.76–2.66 eV across 16 reported structures.
Is Al2CO a metal, semiconductor, or insulator?
With a band gap up to 2.66 eV it is a semiconductor.
Is Al2CO thermodynamically stable?
Al2CO has a lowest energy above hull of 0.077 eV/atom (metastable).
What is the crystal structure of Al2CO?
The lowest-energy reported polymorph of Al2CO is orthorhombic symmetry, space group Pna21 (No. 33).
What is the density of Al2CO?
The computed density of the ground-state structure of Al2CO is 2.99 g/cm³.
How many polymorphs of Al2CO are known?
16 structures of Al2CO are reported across 3 databases, spanning 4 distinct space groups.
What elements does Al2CO contain?
Al2CO contains Al, C, and O (3 elements).
Where does the data for Al2CO come from?
Al2CO 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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