Be2Os1Ta1
Be2Os1Ta1 is a semiconducting ternary compound of beryllium, osmium, and tantalum that is characterized by its structural complexity and thermodynamic instability.
About Be2Os1Ta1
Be2Os1Ta1 is a complex ternary compound composed of beryllium, osmium, and tantalum. As a semiconducting material, it exhibits electronic characteristics that distinguish it from simple metallic alloys, positioning it as an interesting subject for fundamental condensed matter research.
Despite being identified in various structural configurations within computational databases, the material resides above the thermodynamic hull. This suggests that the compound is likely unstable under standard conditions, requiring careful synthesis strategies to stabilize its specific atomic arrangement.
Key Properties
Cross-validated computational properties for Be2Os1Ta1, 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 Be2Os1Ta1, 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 | 0.18 | 4.4229 | -3.513 | 0.91 |
| Imm2 (No. 44) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Amm2 (No. 38) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Be2Os1Ta1, answered from cross-validated data.
What is Be2Os1Ta1?
Be2Os1Ta1 is a semiconducting ternary compound of beryllium, osmium, and tantalum that is characterized by its structural complexity and thermodynamic instability.
What is the band gap of Be2Os1Ta1?
Is Be2Os1Ta1 a metal, semiconductor, or insulator?
Is Be2Os1Ta1 thermodynamically stable?
What is the crystal structure of Be2Os1Ta1?
What is the density of Be2Os1Ta1?
How many polymorphs of Be2Os1Ta1 are known?
What elements does Be2Os1Ta1 contain?
Where does the data for Be2Os1Ta1 come from?
How It Compares
As a unique ternary phase, Be2Os1Ta1 represents a specialized intersection of light beryllium and heavy transition metals. Without close structural analogs in its immediate class, it serves as a distinct case study for how the integration of osmium and tantalum into a beryllium-rich lattice influences overall electronic behavior and structural metastability.
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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