CrO2
Chromium dioxide · Chromic oxide, Chromium(IV) oxide
Chromium dioxide is a synthetic magnetic material known for its high coercivity and stability. It is primarily utilized as a magnetic pigment in high-performance recording media.
Overview
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.
0.01–1.06 eV
Range across DFT structures
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.
0.000 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.
On hull (stable)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
296
5 databases, 43 space groups
Validation
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.
1.00 / 1.00
Trust tier: medium
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
2
jarvis, materials_project
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
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 |
Uses
Applications
Where Chromium dioxide is used.
Magnetic recording tapesData storage mediaMagnetic coatings
Reference
Frequently Asked Questions
Common questions about Chromium dioxide, answered from cross-validated data.
What is CrO2?
Chromium dioxide is a synthetic magnetic material known for its high coercivity and stability. It is primarily utilized as a magnetic pigment in high-performance recording media.
More questions
What is CrO2 used for?
Chromium dioxide (CrO2) is used in magnetic recording tapes, data storage media, and magnetic coatings.
What is the band gap of CrO2?
Chromium dioxide (CrO2) has a DFT-computed band gap of 0.01–1.06 eV across 296 reported structures.
Is CrO2 a metal, semiconductor, or insulator?
With a band gap up to 1.06 eV it is a semiconductor.
Is CrO2 thermodynamically stable?
Yes — Chromium dioxide (CrO2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of CrO2?
The lowest-energy reported polymorph of Chromium dioxide (CrO2) is tetragonal symmetry, space group P42/mnm (No. 136).
What is the density of CrO2?
The computed density of the ground-state structure of Chromium dioxide (CrO2) is 4.92 g/cm³.
How many polymorphs of CrO2 are known?
296 structures of CrO2 are reported across 5 databases, spanning 43 distinct space groups.
What elements does CrO2 contain?
Chromium dioxide (CrO2) contains Cr and O (2 elements).
Where does the data for CrO2 come from?
CrO2 data is cross-referenced from materials_project, mpaloe.
Explore
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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