Na5ReO6
Sodium rhenate is an inorganic oxide compound containing sodium and rhenium. It is primarily utilized in solid-state chemistry research to investigate the structural and electronic properties of transition metal oxides.
NaORe
Overview
Key Properties
Cross-validated computational properties for Na5ReO6, 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.
2.25 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Na5ReO6, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 2.25 | 0.0000 | -6.124 | 4.67 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.40 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.64 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.51 |
Uses
Applications
Where Na5ReO6 is used.
Solid-state chemistry researchMaterials science studiesPrecursor for rhenium-based materials
Reference
Frequently Asked Questions
Common questions about Na5ReO6, answered from cross-validated data.
What is Na5ReO6?
Sodium rhenate is an inorganic oxide compound containing sodium and rhenium. It is primarily utilized in solid-state chemistry research to investigate the structural and electronic properties of transition metal oxides.
More questions
What is Na5ReO6 used for?
Na5ReO6 is used in solid-state chemistry research, materials science studies, and precursor for rhenium-based materials.
What is the band gap of Na5ReO6?
Na5ReO6 has a DFT-computed band gap of 2.25 eV across 5 reported structures.
Is Na5ReO6 a metal, semiconductor, or insulator?
With a band gap up to 2.25 eV it is a semiconductor.
Is Na5ReO6 thermodynamically stable?
Yes — Na5ReO6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Na5ReO6?
The lowest-energy reported polymorph of Na5ReO6 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of Na5ReO6?
The computed density of the ground-state structure of Na5ReO6 is 4.67 g/cm³.
How many polymorphs of Na5ReO6 are known?
5 structures of Na5ReO6 are reported across 3 databases, spanning 1 distinct space group.
What elements does Na5ReO6 contain?
Na5ReO6 contains Na, O, and Re (3 elements).
Where does the data for Na5ReO6 come from?
Na5ReO6 data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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