ReH3O5
ReH3O5 is a thermodynamically stable, insulating inorganic compound with a wide electronic band gap.
About ReH3O5
ReH3O5 is a chemically distinct inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. As a material residing on the convex hull, it represents a robust phase that maintains structural integrity under standard conditions.
Its wide-band-gap profile suggests potential utility in specialized electronic or optical applications where insulating behavior is required. With multiple reported structural configurations, this compound serves as a significant subject for researchers investigating complex rhenium-based systems.
Key Properties
Cross-validated computational properties for ReH3O5, aggregated across 2 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 ReH3O5, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 3.97 | 0.0000 | -6.927 | 4.27 |
| P1 (No. 1) | triclinic | 0.00 | 0.0022 | -6.924 | 4.30 |
| P1 (No. 1) | triclinic | 3.67 | 0.0129 | -6.914 | 4.32 |
| P1 (No. 1) | triclinic | 3.83 | 0.0191 | -6.908 | 4.13 |
| P1 (No. 1) | triclinic | 3.92 | 0.0210 | -6.906 | 3.86 |
| P1 (No. 1) | triclinic | 3.75 | 0.0302 | -6.896 | 4.26 |
| P1 (No. 1) | triclinic | 1.42 | 0.0670 | -6.860 | 3.89 |
| P1 (No. 1) | Triclinic | — | — | — | 4.07 |
| P1 (No. 1) | Triclinic | — | — | — | 4.31 |
| P1 (No. 1) | Triclinic | — | — | — | 4.12 |
| P1 (No. 1) | Triclinic | — | — | — | 4.32 |
| P1 (No. 1) | Triclinic | — | — | — | 4.26 |
Applications
Where ReH3O5 is used.
Frequently Asked Questions
Common questions about ReH3O5, answered from cross-validated data.
What is ReH3O5?
ReH3O5 is a thermodynamically stable, insulating inorganic compound with a wide electronic band gap.
What is ReH3O5 used for?
What is the band gap of ReH3O5?
Is ReH3O5 a metal, semiconductor, or insulator?
Is ReH3O5 thermodynamically stable?
What is the crystal structure of ReH3O5?
What is the density of ReH3O5?
How many polymorphs of ReH3O5 are known?
What elements does ReH3O5 contain?
Where does the data for ReH3O5 come from?
How It Compares
As a unique inorganic phase, ReH3O5 occupies a specialized niche in materials science. Unlike more common binary oxides, this compound's specific stoichiometry allows it to maintain thermodynamic stability, positioning it as a distinct candidate for further exploration in structural and functional material studies.
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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