AlCr
AlCr has a DFT band gap of Metallic / not reported across 153 reported structures in 25 space groups. Cross-validated across 3 computational databases.
Key Properties
Cross-validated computational properties for AlCr, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of AlCr. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (oqmd) reports a hull energy for AlCr, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for AlCr, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0990 | -0.039 | — |
| — | — | 0.00 | 0.1721 | 0.034 | — |
| — | — | 0.00 | 0.1844 | 0.046 | — |
| — | — | 0.00 | 0.2035 | 0.065 | — |
| — | — | 0.00 | 0.2068 | 0.069 | — |
| — | — | 0.00 | 0.2204 | 0.082 | — |
| — | — | 0.00 | 0.2241 | 0.086 | — |
| — | — | 0.00 | 0.2618 | 0.124 | — |
| — | — | 0.00 | 0.3454 | 0.207 | — |
| — | — | 0.00 | 0.3606 | 0.222 | — |
| — | — | 0.00 | 0.3909 | 0.253 | — |
| — | — | 0.00 | 0.7357 | 0.598 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting AlCr.
Patent Landscape
2 patents reference AlCr or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 7226670 | Work piece with a hard film of AlCr-containing material, and process for its production | — | — |
| 7988832 | Work piece with a hard film of AlCr-containing material, and process for its production | — | — |
Frequently Asked Questions
Common questions about AlCr, answered from cross-validated data.
What is the band gap of AlCr?
The reported DFT structures of AlCr show no band gap. Standard DFT often misses gaps (especially in transition-metal oxides), so this is not proof the real material is a metal.
Is AlCr a metal, semiconductor, or insulator?
Is AlCr thermodynamically stable?
How many polymorphs of AlCr are known?
How is AlCr synthesized?
What elements does AlCr contain?
Where does the data for AlCr come from?
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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