Ho6ReO12
Ho6ReO12 is a thermodynamically stable, semimetallic holmium rhenium oxide used in fundamental materials science research.
About Ho6ReO12
Ho6ReO12 is a complex oxide featuring holmium and rhenium. As a thermodynamically stable compound residing on the convex hull, it represents a robust structural arrangement within its chemical system.
Its electronic character is defined as near-zero-gap, placing it in the category of semimetallic materials. This unique electronic profile makes it a subject of interest for researchers investigating the intersection of rare-earth magnetism and transition metal conductivity.
Key Properties
Cross-validated computational properties for Ho6ReO12, 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.
Reported Structures
Lowest-energy structures reported for Ho6ReO12, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 0.04 | 0.0000 | -8.869 | 9.03 |
| R-3 (No. 148) | — | — | — | — | — |
| R-3 (No. 148) | Trigonal | — | — | — | 8.76 |
| R-3 (No. 148) | Trigonal | — | — | — | 9.21 |
| R-3 (No. 148) | Trigonal | — | — | — | 8.94 |
Applications
Where Ho6ReO12 is used.
Frequently Asked Questions
Common questions about Ho6ReO12, answered from cross-validated data.
What is Ho6ReO12?
Ho6ReO12 is a thermodynamically stable, semimetallic holmium rhenium oxide used in fundamental materials science research.
What is Ho6ReO12 used for?
What is the band gap of Ho6ReO12?
Is Ho6ReO12 a metal, semiconductor, or insulator?
Is Ho6ReO12 thermodynamically stable?
What is the crystal structure of Ho6ReO12?
What is the density of Ho6ReO12?
How many polymorphs of Ho6ReO12 are known?
What elements does Ho6ReO12 contain?
Where does the data for Ho6ReO12 come from?
How It Compares
As a distinct member of the rare-earth rhenium oxide family, Ho6ReO12 occupies a unique niche due to its high thermodynamic stability. While many complex oxides in this class exhibit insulating behavior, this compound stands out for its semimetallic nature, offering a different electronic pathway compared to more traditional wide-gap oxide counterparts.
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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