Be2Mo
Beryllium molybdenum is an intermetallic compound composed of beryllium and molybdenum. It is primarily studied for its structural properties in specialized high-performance engineering environments.
BeMo
Overview
Key Properties
Cross-validated computational properties for Be2Mo, aggregated across 4 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.
Metallic / not reported
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)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
96
4 databases, 18 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Be2Mo, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | -6.428 | 6.08 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.10 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.39 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.44 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.05 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.37 |
| — | — | — | — | — | 4.13 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.05 |
| P21/m (No. 11) | Monoclinic | — | — | — | 5.34 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.93 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 2.92 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.33 |
Uses
Applications
Where Be2Mo is used.
Nuclear reactor componentsAerospace materials researchHigh-temperature structural alloys
Reference
Frequently Asked Questions
Common questions about Be2Mo, answered from cross-validated data.
What is Be2Mo?
Beryllium molybdenum is an intermetallic compound composed of beryllium and molybdenum. It is primarily studied for its structural properties in specialized high-performance engineering environments.
More questions
What is Be2Mo used for?
Be2Mo is used in nuclear reactor components, aerospace materials research, and high-temperature structural alloys.
What is the band gap of Be2Mo?
Be2Mo is computed to be metallic (no band gap) in the reported DFT structures.
Is Be2Mo a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Be2Mo thermodynamically stable?
Yes — Be2Mo sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Be2Mo?
The lowest-energy reported polymorph of Be2Mo is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of Be2Mo?
The computed density of the ground-state structure of Be2Mo is 6.08 g/cm³.
How many polymorphs of Be2Mo are known?
96 structures of Be2Mo are reported across 4 databases, spanning 18 distinct space groups.
What elements does Be2Mo contain?
Be2Mo contains Be and Mo (2 elements).
Where does the data for Be2Mo come from?
Be2Mo data is cross-referenced from materials_project, mpaloe, omat24, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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