CrHO2
Chromium(III) oxyhydroxide · Chromic oxyhydroxide
CrHO2 is a stable, insulating chromium oxyhydroxide compound characterized by a high degree of structural diversity.
About Chromium(III) oxyhydroxide
CrHO2 is a thermodynamically stable inorganic compound that exists as a wide-gap insulator. Its structural complexity is highlighted by the numerous reported configurations found across major materials databases, reflecting its versatility in solid-state chemistry. This material serves as a fundamental building block in the study of chromium-based oxides and hydroxides. Its insulating electronic character and stable nature make it a significant subject for researchers investigating phase transitions and structural diversity in transition metal systems.
Key Properties
Cross-validated computational properties for Chromium(III) oxyhydroxide, 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 CrHO2. 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 CrHO2, 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. |
|---|---|---|---|---|---|
| R3m (No. 160) | trigonal | 3.01 | 0.0000 | -7.722 | 4.05 |
| Pnma (No. 62) | orthorhombic | 1.13 | 0.0000 | -1.717 | — |
| Pmn21 (No. 31) | orthorhombic | 1.11 | 0.0002 | -1.717 | — |
| Pmn21 (No. 31) | orthorhombic | 1.11 | 0.0006 | -1.716 | — |
| P21/c (No. 14) | monoclinic | 2.83 | 0.0007 | -7.721 | 4.06 |
| Pnma (No. 62) | orthorhombic | 0.98 | 0.0086 | -7.713 | 4.35 |
| R3m (No. 160) | trigonal | 1.36 | 0.0114 | -1.705 | — |
| Pmn21 (No. 31) | orthorhombic | 0.99 | 0.0131 | -7.709 | 4.52 |
| P21/c (No. 14) | monoclinic | 1.23 | 0.0138 | -1.703 | — |
| — | — | 2.84 | 0.0899 | -2.027 | — |
| — | — | 2.79 | 0.0921 | -2.025 | — |
| — | — | 2.82 | 0.0937 | -2.023 | — |
Applications
Where Chromium(III) oxyhydroxide is used.
Frequently Asked Questions
Common questions about Chromium(III) oxyhydroxide, answered from cross-validated data.
What is CrHO2?
CrHO2 is a stable, insulating chromium oxyhydroxide compound characterized by a high degree of structural diversity.
What is CrHO2 used for?
What is the band gap of CrHO2?
Is CrHO2 a metal, semiconductor, or insulator?
Is CrHO2 thermodynamically stable?
What is the crystal structure of CrHO2?
How many polymorphs of CrHO2 are known?
What elements does CrHO2 contain?
Where does the data for CrHO2 come from?
How It Compares
As a distinct chromium oxyhydroxide, CrHO2 occupies a unique position in inorganic chemistry. While it shares chemical elements with various chromium oxides, its specific stoichiometry and structural stability distinguish it as a standalone material of interest for fundamental materials science exploration.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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