AlCrOs2
AlCrOs2 is a semiconducting ternary compound containing aluminum, chromium, and osmium that is known for its structural complexity.
About AlCrOs2
AlCrOs2 is a complex inorganic compound featuring aluminum, chromium, and osmium. As a semiconducting material, it represents an intriguing subject for researchers investigating the interplay between transition metals and main-group elements in solid-state lattices.
Despite its status as a thermodynamically unstable phase that exists above the hull, the compound has garnered significant interest, evidenced by numerous reported structures across multiple databases. This structural diversity highlights the complexity of its synthesis and the potential for metastable configurations.
Key Properties
Cross-validated computational properties for AlCrOs2, 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.
Reported Structures
Lowest-energy structures reported for AlCrOs2, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.15 | 3.9589 | -28.236 | 1.10 |
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| — | — | — | — | — | 14.13 |
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Frequently Asked Questions
Common questions about AlCrOs2, answered from cross-validated data.
What is AlCrOs2?
AlCrOs2 is a semiconducting ternary compound containing aluminum, chromium, and osmium that is known for its structural complexity.
What is the band gap of AlCrOs2?
Is AlCrOs2 a metal, semiconductor, or insulator?
Is AlCrOs2 thermodynamically stable?
What is the crystal structure of AlCrOs2?
What is the density of AlCrOs2?
How many polymorphs of AlCrOs2 are known?
What elements does AlCrOs2 contain?
Where does the data for AlCrOs2 come from?
How It Compares
As a unique inorganic compound, AlCrOs2 occupies a specialized niche in materials research, serving as a case study for understanding the formation of complex ternary phases that do not readily achieve the lowest energy state.
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).
- alexandria — Data from alexandria.
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