BeCrO4
BeCrO4 is a semiconducting oxide compound that functions as a potential catalyst within the spinel material family.
About BeCrO4
BeCrO4 belongs to the class of spinel oxide catalysts, characterized by its semiconducting electronic structure. As a near-hull stable compound, it represents a promising candidate for experimental synthesis and structural investigation within the broader family of oxide materials.
Its significance lies in its potential utility for catalytic processes where specific electronic properties are required. Given its structural classification, it serves as a valuable subject for researchers looking to expand the library of functional oxide catalysts.
Key Properties
Cross-validated computational properties for BeCrO4, 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.
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 BeCrO4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 2.47 | 0.0121 | -7.591 | 2.58 |
| C2/m (No. 12) | monoclinic | 2.11 | 0.0784 | -7.525 | 2.98 |
| P21/c (No. 14) | monoclinic | 2.35 | 0.0907 | -7.513 | 2.43 |
| P2/m (No. 10) | Monoclinic | — | — | — | 4.87 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.80 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.02 |
| — | — | — | — | — | 2.16 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where BeCrO4 is used.
Frequently Asked Questions
Common questions about BeCrO4, answered from cross-validated data.
What is BeCrO4?
BeCrO4 is a semiconducting oxide compound that functions as a potential catalyst within the spinel material family.
What is BeCrO4 used for?
What is the band gap of BeCrO4?
Is BeCrO4 a metal, semiconductor, or insulator?
Is BeCrO4 thermodynamically stable?
What is the crystal structure of BeCrO4?
What is the density of BeCrO4?
How many polymorphs of BeCrO4 are known?
What elements does BeCrO4 contain?
Where does the data for BeCrO4 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse group of spinel and related oxide catalysts, BeCrO4 occupies a unique position compared to more common members like ZnO or NiO. While materials such as LaMnO3 are frequently studied for their complex magnetic and catalytic behaviors, BeCrO4 offers a distinct compositional profile that differentiates it from the simpler binary oxides and traditional aluminates like MgAl2O4.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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