CrH5O4
CrH5O4 is a semiconducting chromium-based compound known for its structural diversity and metastable nature.
About CrH5O4
CrH5O4 is a complex inorganic compound composed of chromium, hydrogen, and oxygen. It exhibits semiconducting electronic characteristics, placing it in a category of materials often investigated for their unique charge transport properties.
Despite its interesting electronic profile, the compound is characterized as thermodynamically unstable, existing above the energy hull. Its structural landscape is relatively well-documented, with multiple reported configurations across various materials databases.
Key Properties
Cross-validated computational properties for CrH5O4, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CrH5O4. 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 CrH5O4, 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. |
|---|---|---|---|---|---|
| Pm (No. 6) | monoclinic | 1.30 | 0.1259 | -1.158 | — |
| Pm (No. 6) | monoclinic | 2.65 | 0.1364 | -6.068 | 2.59 |
| Pm (No. 6) | monoclinic | — | — | — | 2.71 |
| Pm (No. 6) | monoclinic | — | — | — | 2.64 |
| Pm (No. 6) | monoclinic | — | — | — | 2.59 |
Frequently Asked Questions
Common questions about CrH5O4, answered from cross-validated data.
What is CrH5O4?
CrH5O4 is a semiconducting chromium-based compound known for its structural diversity and metastable nature.
What is the band gap of CrH5O4?
Is CrH5O4 a metal, semiconductor, or insulator?
Is CrH5O4 thermodynamically stable?
What is the crystal structure of CrH5O4?
How many polymorphs of CrH5O4 are known?
What elements does CrH5O4 contain?
Where does the data for CrH5O4 come from?
How It Compares
As a unique entry in the materials database, CrH5O4 represents an intriguing case study in structural complexity. Without direct siblings in its immediate class, it serves as a distinct example of how chromium-based hydrogen-oxygen systems can manifest in varied, albeit metastable, configurations.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze CrH5O4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →