AlCr2
This intermetallic compound consists of aluminum and chromium. It is primarily studied for its structural properties in high-temperature environments where oxidation resistance and mechanical stability are required.
AlCr
Overview
Key Properties
Cross-validated computational properties for AlCr2, aggregated across 4 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.
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.
0.105 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.
Above hull
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
116
4 databases, 20 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for AlCr2, 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 | 0.00 | 0.1048 | -12.258 | 5.87 |
| Fmmm (No. 69) | orthorhombic | 0.00 | 0.1423 | -12.220 | 5.73 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.21 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.57 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.07 |
| P21/m (No. 11) | Monoclinic | — | — | — | 5.57 |
| P21/m (No. 11) | Monoclinic | — | — | — | 2.42 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.95 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 5.03 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.00 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.50 |
| Pm (No. 6) | Monoclinic | — | — | — | 5.85 |
Uses
Applications
Where AlCr2 is used.
High-temperature structural materialsAerospace componentsCorrosion-resistant coatings
Reference
Frequently Asked Questions
Common questions about AlCr2, answered from cross-validated data.
What is AlCr2?
This intermetallic compound consists of aluminum and chromium. It is primarily studied for its structural properties in high-temperature environments where oxidation resistance and mechanical stability are required.
More questions
What is AlCr2 used for?
AlCr2 is used in high-temperature structural materials, aerospace components, and corrosion-resistant coatings.
What is the band gap of AlCr2?
AlCr2 is computed to be metallic (no band gap) in the reported DFT structures.
Is AlCr2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is AlCr2 thermodynamically stable?
AlCr2 has a lowest energy above hull of 0.105 eV/atom (above hull).
What is the crystal structure of AlCr2?
The lowest-energy reported polymorph of AlCr2 is tetragonal symmetry, space group I4/mmm (No. 139).
What is the density of AlCr2?
The computed density of the ground-state structure of AlCr2 is 5.87 g/cm³.
How many polymorphs of AlCr2 are known?
116 structures of AlCr2 are reported across 4 databases, spanning 20 distinct space groups.
What elements does AlCr2 contain?
AlCr2 contains Al and Cr (2 elements).
Where does the data for AlCr2 come from?
AlCr2 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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