CrO2
Chromium dioxide · Chromic oxide
Chromium dioxide is a stable, semiconducting metal oxide widely recognized for its magnetic properties and historical use in data storage media.
About Chromium dioxide
Chromium dioxide is a thermodynamically stable oxide that exhibits semiconducting electronic behavior. Its unique magnetic and structural properties have made it a subject of extensive research, with a vast number of reported structures cataloged across major materials databases.
This compound plays a critical role in specialized industrial applications where its specific electronic and magnetic characteristics can be leveraged. As a member of the broader oxide family, it is valued for its stability and performance in demanding technological environments.
Key Properties
Cross-validated computational properties for Chromium dioxide, aggregated across 5 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 CrO2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for CrO2, 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. |
|---|---|---|---|---|---|
| P42/mnm (No. 136) | tetragonal | 0.04 | 0.0000 | -8.564 | 4.92 |
| Pnnm (No. 58) | orthorhombic | 0.00 | 0.0008 | -8.563 | 4.64 |
| P-421m (No. 113) | tetragonal | 0.01 | 0.0055 | -8.559 | 4.66 |
| Pbcn (No. 60) | orthorhombic | 0.27 | 0.0362 | -8.528 | 4.99 |
| Pnma (No. 62) | orthorhombic | 0.97 | 0.0565 | -8.507 | 4.19 |
| I4/m (No. 87) | tetragonal | 1.06 | 0.0663 | -8.498 | 3.81 |
| Pa-3 (No. 205) | cubic | 0.00 | 0.0985 | -8.466 | 4.93 |
| Imma (No. 74) | orthorhombic | 0.00 | 0.1656 | -8.398 | 4.01 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1756 | -8.388 | 3.45 |
| Pmmn (No. 59) | orthorhombic | 0.00 | 0.1762 | -8.388 | 3.40 |
| Cm (No. 8) | monoclinic | 0.00 | 0.1778 | -8.386 | 3.96 |
| Cm (No. 8) | monoclinic | 0.00 | 0.1834 | -8.381 | 3.82 |
Applications
Where Chromium dioxide is used.
Frequently Asked Questions
Common questions about Chromium dioxide, answered from cross-validated data.
What is CrO2?
Chromium dioxide is a stable, semiconducting metal oxide widely recognized for its magnetic properties and historical use in data storage media.
What is CrO2 used for?
What is the band gap of CrO2?
Is CrO2 a metal, semiconductor, or insulator?
Is CrO2 thermodynamically stable?
What is the crystal structure of CrO2?
What is the density of CrO2?
How many polymorphs of CrO2 are known?
What elements does CrO2 contain?
Where does the data for CrO2 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse family of spinel and related transition metal oxides, CrO2 stands out for its distinct magnetic properties compared to more common insulators or semiconductors like ZnO or Al2O3. While materials such as LaMnO3 or LaNiO3 are often studied for their complex perovskite-related electronic phases, CrO2 is recognized for its relative structural stability and its historical significance in high-density magnetic storage technology.
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.
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