Ag1Hf2Re1
Ag1Hf2Re1 is a semiconducting ternary compound consisting of silver, hafnium, and rhenium that exhibits a wide variety of structural configurations.
About Ag1Hf2Re1
Ag1Hf2Re1 is a complex ternary compound composed of silver, hafnium, and rhenium. As a semiconducting material, it represents a specialized area of study within inorganic chemistry, characterized by a diverse array of structural possibilities despite its thermodynamic position above the stability hull.
Its existence is marked by significant structural variety, with numerous configurations documented in research databases. This material serves as an intriguing subject for researchers investigating the interplay between transition metals and noble metal components in non-equilibrium phases.
Key Properties
Cross-validated computational properties for Ag1Hf2Re1, 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 Ag1Hf2Re1, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.12 | 3.7242 | -5.325 | 1.07 |
| Cmm2 (No. 35) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Ag1Hf2Re1 is used.
Frequently Asked Questions
Common questions about Ag1Hf2Re1, answered from cross-validated data.
What is Ag1Hf2Re1?
Ag1Hf2Re1 is a semiconducting ternary compound consisting of silver, hafnium, and rhenium that exhibits a wide variety of structural configurations.
What is Ag1Hf2Re1 used for?
What is the band gap of Ag1Hf2Re1?
Is Ag1Hf2Re1 a metal, semiconductor, or insulator?
Is Ag1Hf2Re1 thermodynamically stable?
What is the crystal structure of Ag1Hf2Re1?
What is the density of Ag1Hf2Re1?
How many polymorphs of Ag1Hf2Re1 are known?
What elements does Ag1Hf2Re1 contain?
Where does the data for Ag1Hf2Re1 come from?
How It Compares
As a unique ternary phase, Ag1Hf2Re1 occupies a distinct niche in materials research, serving as a primary example of complex metallic systems that exist in metastable states rather than as conventional, highly stable bulk alloys.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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